2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide

C15H23N7O — CID 165112231

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCC(C)C)n2)cn1
InChIInChI=1S/C15H23N7O/c1-4-22-9-11(7-19-22)20-15-18-8-12(13(16)23)14(21-15)17-6-5-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyCWLQBIKMISOOCP-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.99
Rot. Bonds8

About 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide (PubChem CID 165112231) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide
PubChem CID165112231
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCC(C)C)n2)cn1
InChIInChI=1S/C15H23N7O/c1-4-22-9-11(7-19-22)20-15-18-8-12(13(16)23)14(21-15)17-6-5-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyCWLQBIKMISOOCP-UHFFFAOYSA-N
XLogP1.99
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide (CID 165112231) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCCC(C)C)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide?
The InChIKey is CWLQBIKMISOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-4-22-9-11(7-19-22)20-15-18-8-12(13(16)23)14(21-15)17-6-5-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,23)(H2,17,18,20,21).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(3-methylbutylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).