1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea

C23H29N7O3 — CID 143632981

IUPAC1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea
SMILESO=C1CN(Cc2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NC4CC4)cc3)n2)CCN1
InChIInChI=1S/C23H29N7O3/c31-21-15-29(8-7-24-21)14-19-13-20(30-9-11-33-12-10-30)28-22(25-19)16-1-3-17(4-2-16)26-23(32)27-18-5-6-18/h1-4,13,18H,5-12,14-15H2,(H,24,31)(H2,26,27,32)
InChIKeyDPVTVTPCGORVKO-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.20
Rot. Bonds6

About 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea

1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea (PubChem CID 143632981) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea
PubChem CID143632981
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea
SMILESO=C1CN(Cc2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NC4CC4)cc3)n2)CCN1
InChIInChI=1S/C23H29N7O3/c31-21-15-29(8-7-24-21)14-19-13-20(30-9-11-33-12-10-30)28-22(25-19)16-1-3-17(4-2-16)26-23(32)27-18-5-6-18/h1-4,13,18H,5-12,14-15H2,(H,24,31)(H2,26,27,32)
InChIKeyDPVTVTPCGORVKO-UHFFFAOYSA-N
XLogP1.20
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[4-[4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633036
1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-2-yl]phenyl]urea
CID 143633276
1-cyclobutyl-3-[4-[4-morpholin-4-yl-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 143633200
2-[4-(cyclopropylcarbamoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 143633351
1-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 59380093
[2-[4-(ethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-propan-2-ylsulfanium
CID 143633058
1-cyclopropyl-3-[4-[4-[1-(1-cyclopropylprop-2-enylsulfonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 174603803
1-tert-butyl-3-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633340
[2-[4-[2-(dimethylamino)ethylcarbamoylamino]phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-ethylsulfanium
CID 143633229
1-[4-[4-[(1-methylpiperidin-4-yl)oxymethyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-phenylurea
CID 70305425
1-cyclopropyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865995
1-cyclopropyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239107

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea (CID 143632981) is 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea is O=C1CN(Cc2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NC4CC4)cc3)n2)CCN1.
What is the InChIKey of 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea?
The InChIKey is DPVTVTPCGORVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c31-21-15-29(8-7-24-21)14-19-13-20(30-9-11-33-12-10-30)28-22(25-19)16-1-3-17(4-2-16)26-23(32)27-18-5-6-18/h1-4,13,18H,5-12,14-15H2,(H,24,31)(H2,26,27,32).
What are the key properties of 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea?
1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea has a molecular weight of 451.53 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-[(3-oxopiperazin-1-yl)methyl]pyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 143632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).