2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

C25H29N5O2 — CID 27478141

IUPAC2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-17-15-23(27-19-11-13-22(32-2)14-12-19)30-25(26-17)29-21-9-7-20(8-10-21)28-24(31)16-18-5-3-4-6-18/h7-15,18H,3-6,16H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyJLOJFKVZSOKRMJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.80
Rot. Bonds8

About 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 27478141) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID27478141
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-17-15-23(27-19-11-13-22(32-2)14-12-19)30-25(26-17)29-21-9-7-20(8-10-21)28-24(31)16-18-5-3-4-6-18/h7-15,18H,3-6,16H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyJLOJFKVZSOKRMJ-UHFFFAOYSA-N
XLogP5.80
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-(1,3-benzodioxol-5-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287056
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122287106
1-(4-fluorophenyl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 122287082
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122287135
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
3-[(2-anilino-6-methylpyrimidin-4-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 44527739
2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296738
2-bromo-5-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287097
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286996

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 27478141) is 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is JLOJFKVZSOKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-15-23(27-19-11-13-22(32-2)14-12-19)30-25(26-17)29-21-9-7-20(8-10-21)28-24(31)16-18-5-3-4-6-18/h7-15,18H,3-6,16H2,1-2H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 5.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 27478141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).