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

C15H23N7O — CID 165112227

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C15H23N7O/c1-3-5-6-7-17-14-12(13(16)23)9-18-15(21-14)20-11-8-19-22(4-2)10-11/h8-10H,3-7H2,1-2H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyRQFOUYVHAPRJOP-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.14
Rot. Bonds9

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

2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 165112227) 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-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide
PubChem CID165112227
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C15H23N7O/c1-3-5-6-7-17-14-12(13(16)23)9-18-15(21-14)20-11-8-19-22(4-2)10-11/h8-10H,3-7H2,1-2H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyRQFOUYVHAPRJOP-UHFFFAOYSA-N
XLogP2.14
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide (CID 165112227) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is RQFOUYVHAPRJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-3-5-6-7-17-14-12(13(16)23)9-18-15(21-14)20-11-8-19-22(4-2)10-11/h8-10H,3-7H2,1-2H3,(H2,16,23)(H2,17,18,20,21).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.14, 9 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-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).