6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide

C12H18N4O — CID 71123336

IUPAC6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCC2)ncn1
InChIInChI=1S/C12H18N4O/c13-11-6-10(15-8-16-11)12(17)14-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,17)(H2,13,15,16)
InChIKeyBZBWVCQARUUPEA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.37
Rot. Bonds3

About 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide

6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide (PubChem CID 71123336) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide
PubChem CID71123336
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCC2)ncn1
InChIInChI=1S/C12H18N4O/c13-11-6-10(15-8-16-11)12(17)14-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,17)(H2,13,15,16)
InChIKeyBZBWVCQARUUPEA-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide (CID 71123336) is 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide is Nc1cc(C(=O)NCC2CCCCC2)ncn1.
What is the InChIKey of 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide?
The InChIKey is BZBWVCQARUUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-6-10(15-8-16-11)12(17)14-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,17)(H2,13,15,16).
What are the key properties of 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide?
6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyclohexylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71123336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).