N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

C18H22N4O3 — CID 109341510

IUPACN-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC3CCCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-8-7-13(9-16(15)25-2)21-17-10-14(19-11-20-17)18(23)22-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyUOBBTCZWRLKGRL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.91
Rot. Bonds6

About N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109341510) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109341510
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC3CCCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-8-7-13(9-16(15)25-2)21-17-10-14(19-11-20-17)18(23)22-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyUOBBTCZWRLKGRL-UHFFFAOYSA-N
XLogP2.91
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109339389
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109341510) is N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NC3CCCC3)ncn2)cc1OC.
What is the InChIKey of N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is UOBBTCZWRLKGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-8-7-13(9-16(15)25-2)21-17-10-14(19-11-20-17)18(23)22-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).