6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C18H22N4O — CID 109341214

IUPAC6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NC3CCCC3)ncn2)c1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-14(9-13)11-19-18(23)16-10-17(21-12-20-16)22-15-7-2-3-8-15/h4-6,9-10,12,15H,2-3,7-8,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyFZUQFVVLXGMJKR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds5

About 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109341214) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109341214
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NC3CCCC3)ncn2)c1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-14(9-13)11-19-18(23)16-10-17(21-12-20-16)22-15-7-2-3-8-15/h4-6,9-10,12,15H,2-3,7-8,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyFZUQFVVLXGMJKR-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
N-(1,3-benzodioxol-5-ylmethyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109349324
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
CID 118410954
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109341214) is 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(NC3CCCC3)ncn2)c1.
What is the InChIKey of 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FZUQFVVLXGMJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-4-6-14(9-13)11-19-18(23)16-10-17(21-12-20-16)22-15-7-2-3-8-15/h4-6,9-10,12,15H,2-3,7-8,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).