4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C16H23N7O — CID 165112242

IUPAC4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCC3)n2)cn1
InChIInChI=1S/C16H23N7O/c1-2-23-10-12(8-20-23)21-16-19-9-13(14(17)24)15(22-16)18-7-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H2,17,24)(H2,18,19,21,22)
InChIKeyKJYMJXJPWJZIFV-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.14
Rot. Bonds7

About 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112242) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112242
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCC3)n2)cn1
InChIInChI=1S/C16H23N7O/c1-2-23-10-12(8-20-23)21-16-19-9-13(14(17)24)15(22-16)18-7-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H2,17,24)(H2,18,19,21,22)
InChIKeyKJYMJXJPWJZIFV-UHFFFAOYSA-N
XLogP2.14
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112242) is 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCC3)n2)cn1.
What is the InChIKey of 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KJYMJXJPWJZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-2-23-10-12(8-20-23)21-16-19-9-13(14(17)24)15(22-16)18-7-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H2,17,24)(H2,18,19,21,22).
What are the key properties of 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).