2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide

C16H25N5O — CID 71237540

IUPAC2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)nc1NC1CCCC1
InChIInChI=1S/C16H25N5O/c17-14(22)13-10-18-16(20-12-6-2-1-3-7-12)21-15(13)19-11-8-4-5-9-11/h10-12H,1-9H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyNGKMPGUXTVUMRO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.67
Rot. Bonds5

About 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide

2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide (PubChem CID 71237540) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
PubChem CID71237540
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)nc1NC1CCCC1
InChIInChI=1S/C16H25N5O/c17-14(22)13-10-18-16(20-12-6-2-1-3-7-12)21-15(13)19-11-8-4-5-9-11/h10-12H,1-9H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyNGKMPGUXTVUMRO-UHFFFAOYSA-N
XLogP2.67
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide (CID 71237540) is 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2)nc1NC1CCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide?
The InChIKey is NGKMPGUXTVUMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-14(22)13-10-18-16(20-12-6-2-1-3-7-12)21-15(13)19-11-8-4-5-9-11/h10-12H,1-9H2,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71237540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).