2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide

C23H27N7O2 — CID 122325150

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3cnc(C4CC4)cc3=O)n2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-3-7-18(8-4-15)28-20-11-16(2)27-23(29-20)25-10-9-24-21(31)13-30-14-26-19(12-22(30)32)17-5-6-17/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,24,31)(H2,25,27,28,29)
InChIKeyGHQJOPJGJZIQRU-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.50
Rot. Bonds9

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 122325150) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID122325150
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3cnc(C4CC4)cc3=O)n2)cc1
InChIInChI=1S/C23H27N7O2/c1-15-3-7-18(8-4-15)28-20-11-16(2)27-23(29-20)25-10-9-24-21(31)13-30-14-26-19(12-22(30)32)17-5-6-17/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,24,31)(H2,25,27,28,29)
InChIKeyGHQJOPJGJZIQRU-UHFFFAOYSA-N
XLogP2.50
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]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

N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122348489
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 122294623
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propanamide
CID 121075051
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
2,4-dimethyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122324881

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide (CID 122325150) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide is Cc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3cnc(C4CC4)cc3=O)n2)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is GHQJOPJGJZIQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-3-7-18(8-4-15)28-20-11-16(2)27-23(29-20)25-10-9-24-21(31)13-30-14-26-19(12-22(30)32)17-5-6-17/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,24,31)(H2,25,27,28,29).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122325150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).