N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

C24H25ClN6O2 — CID 24997391

IUPACN-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1
InChIInChI=1S/C24H25ClN6O2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30)
InChIKeyCDHYBMAYJPBWKX-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.80
Rot. Bonds7

About N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 24997391) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID24997391
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1
InChIInChI=1S/C24H25ClN6O2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30)
InChIKeyCDHYBMAYJPBWKX-UHFFFAOYSA-N
XLogP4.80
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 24997694
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
N-[[2-[[5-iodo-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]carbamoyl]benzamide
CID 70880335
N-[2-[[2-(4-hydroxyanilino)-5-iodopyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 70880304
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine
CID 158810079
N-[2-[[5-iodo-2-[4-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 70880348
N-[2-[[2-(4-aminoanilino)-5-iodopyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 89059562
1-benzyl-3-[2-[[5-iodo-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 70880286
1-(2,5-difluorophenyl)-3-[2-[[5-iodo-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 70880308
[2-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 175357427
4-[(2-chlorophenyl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 44561554

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (CID 24997391) is N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1.
What is the InChIKey of N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is CDHYBMAYJPBWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30).
What are the key properties of N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 464.96 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24997391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).