N-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 87648384

IUPACN-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.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(C(=O)NC4CC4)CC3)n2)cc1
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;31-12-9-25-23(33)27-18-3-1-16(2-4-18)21-28-19(15-20(29-21)30-10-13-34-14-11-30)24(7-8-24)22(32)26-17-5-6-17/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);1-4,15,17,31H,5-14H2,(H,26,32)(H2,25,27,33)/t18-;;/m0../s1
InChIKeyUKRGRPMRXXVUFI-NTEVMMBTSA-N
MW1457.71 g/mol
LogP4.52
Rot. Bonds23

About N-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

N-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 87648384) has the molecular formula C75H96N18O13 and a molecular weight of 1457.71 g/mol. Its IUPAC name is N-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 NameN-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 CID87648384
Molecular FormulaC75H96N18O13
Molecular Weight1457.71 g/mol
Exact Mass1456.74
IUPAC NameN-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.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(C(=O)NC4CC4)CC3)n2)cc1
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;31-12-9-25-23(33)27-18-3-1-16(2-4-18)21-28-19(15-20(29-21)30-10-13-34-14-11-30)24(7-8-24)22(32)26-17-5-6-17/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);1-4,15,17,31H,5-14H2,(H,26,32)(H2,25,27,33)/t18-;;/m0../s1
InChIKeyUKRGRPMRXXVUFI-NTEVMMBTSA-N
XLogP4.52
TPSA377.78 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.71
LogP ≤ 54.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze N-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 N-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 N-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 87648384) is N-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 N-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 N-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.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(C(=O)NC4CC4)CC3)n2)cc1.
What is the InChIKey of N-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 UKRGRPMRXXVUFI-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;31-12-9-25-23(33)27-18-3-1-16(2-4-18)21-28-19(15-20(29-21)30-10-13-34-14-11-30)24(7-8-24)22(32)26-17-5-6-17/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);1-4,15,17,31H,5-14H2,(H,26,32)(H2,25,27,33)/t18-;;/m0../s1.
What are the key properties of N-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?
N-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 4.52, 23 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-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 87648384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).