2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

C75H96N18O13 — CID 87693353

IUPAC2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCN(C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1)C1CC1.C[C@H]1COCCN1C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1.NC(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1C1CC1
InChIInChI=1S/C26H34N6O5.C25H32N6O4.C24H30N6O4/c1-18-17-37-15-11-32(18)24(34)26(6-7-26)21-16-22(31-9-13-36-14-10-31)30-23(29-21)19-2-4-20(5-3-19)28-25(35)27-8-12-33;1-30(19-6-7-19)23(33)25(8-9-25)20-16-21(31-11-14-35-15-12-31)29-22(28-20)17-2-4-18(5-3-17)27-24(34)26-10-13-32;25-22(32)24(14-18(24)15-1-2-15)19-13-20(30-8-11-34-12-9-30)29-21(28-19)16-3-5-17(6-4-16)27-23(33)26-7-10-31/h2-5,16,18,33H,6-15,17H2,1H3,(H2,27,28,35);2-5,16,19,32H,6-15H2,1H3,(H2,26,27,34);3-6,13,15,18,31H,1-2,7-12,14H2,(H2,25,32)(H2,26,27,33)/t18-;;/m0../s1
InChIKeyCDXIMOGPSHLGMS-NTEVMMBTSA-N
MW1457.71 g/mol
LogP4.37
Rot. Bonds23

About 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (PubChem CID 87693353) has the molecular formula C75H96N18O13 and a molecular weight of 1457.71 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
PubChem CID87693353
Molecular FormulaC75H96N18O13
Molecular Weight1457.71 g/mol
Exact Mass1456.74
IUPAC Name2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCN(C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1)C1CC1.C[C@H]1COCCN1C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1.NC(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1C1CC1
InChIInChI=1S/C26H34N6O5.C25H32N6O4.C24H30N6O4/c1-18-17-37-15-11-32(18)24(34)26(6-7-26)21-16-22(31-9-13-36-14-10-31)30-23(29-21)19-2-4-20(5-3-19)28-25(35)27-8-12-33;1-30(19-6-7-19)23(33)25(8-9-25)20-16-21(31-11-14-35-15-12-31)29-22(28-20)17-2-4-18(5-3-17)27-24(34)26-10-13-32;25-22(32)24(14-18(24)15-1-2-15)19-13-20(30-8-11-34-12-9-30)29-21(28-19)16-3-5-17(6-4-16)27-23(33)26-7-10-31/h2-5,16,18,33H,6-15,17H2,1H3,(H2,27,28,35);2-5,16,19,32H,6-15H2,1H3,(H2,26,27,34);3-6,13,15,18,31H,1-2,7-12,14H2,(H2,25,32)(H2,26,27,33)/t18-;;/m0../s1
InChIKeyCDXIMOGPSHLGMS-NTEVMMBTSA-N
XLogP4.37
TPSA391.77 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.71
LogP ≤ 54.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The IUPAC name of 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (CID 87693353) is 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.
What is the SMILES notation for 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The canonical SMILES for 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is CN(C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1)C1CC1.C[C@H]1COCCN1C(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1.NC(=O)C1(c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The InChIKey is CDXIMOGPSHLGMS-NTEVMMBTSA-N. The full InChI is InChI=1S/C26H34N6O5.C25H32N6O4.C24H30N6O4/c1-18-17-37-15-11-32(18)24(34)26(6-7-26)21-16-22(31-9-13-36-14-10-31)30-23(29-21)19-2-4-20(5-3-19)28-25(35)27-8-12-33;1-30(19-6-7-19)23(33)25(8-9-25)20-16-21(31-11-14-35-15-12-31)29-22(28-20)17-2-4-18(5-3-17)27-24(34)26-10-13-32;25-22(32)24(14-18(24)15-1-2-15)19-13-20(30-8-11-34-12-9-30)29-21(28-19)16-3-5-17(6-4-16)27-23(33)26-7-10-31/h2-5,16,18,33H,6-15,17H2,1H3,(H2,27,28,35);2-5,16,19,32H,6-15H2,1H3,(H2,26,27,34);3-6,13,15,18,31H,1-2,7-12,14H2,(H2,25,32)(H2,26,27,33)/t18-;;/m0../s1.
What are the key properties of 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea has a molecular weight of 1457.71 g/mol, XLogP of 4.37, 23 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]cyclopropane-1-carboxamide;N-cyclopropyl-1-[2-[4-(2-hydroxyethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide;1-(2-hydroxyethyl)-3-[4-[4-[1-[(3S)-3-methylmorpholine-4-carbonyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 87693353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).