N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide

C22H28N6O3 — CID 89374545

IUPACN-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C=O)C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-16(30)24-20-14-23-22(26-21(20)28(15-29)19-4-2-3-5-19)25-17-6-8-18(9-7-17)27-10-12-31-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,30)(H,23,25,26)
InChIKeyZSWZIEKPGGTHMP-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.92
Rot. Bonds7

About N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide

N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide (PubChem CID 89374545) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide
PubChem CID89374545
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C=O)C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-16(30)24-20-14-23-22(26-21(20)28(15-29)19-4-2-3-5-19)25-17-6-8-18(9-7-17)27-10-12-31-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,30)(H,23,25,26)
InChIKeyZSWZIEKPGGTHMP-UHFFFAOYSA-N
XLogP2.92
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89175679
CID 89175679
N-cyclopentyl-N-[5-[(2-oxopyrrolidin-3-yl)methyl]-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]formamide
CID 154974166
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
N-[4-[5-amino-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]acetamide
CID 59491723
N-[2-hydroxy-4-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]acetamide
CID 140634333
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide (CID 89374545) is N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide is CC(=O)Nc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N(C=O)C1CCCC1.
What is the InChIKey of N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide?
The InChIKey is ZSWZIEKPGGTHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-16(30)24-20-14-23-22(26-21(20)28(15-29)19-4-2-3-5-19)25-17-6-8-18(9-7-17)27-10-12-31-13-11-27/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,24,30)(H,23,25,26).
What are the key properties of N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide?
N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopentyl(formyl)amino]-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 89374545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).