2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide

C12H18N4O — CID 114110923

IUPAC2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1ccncn1
InChIInChI=1S/C12H18N4O/c13-11-4-2-1-3-10(11)12(17)15-7-9-5-6-14-8-16-9/h5-6,8,10-11H,1-4,7,13H2,(H,15,17)
InChIKeyZRCSGMLXPKLJMD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide

2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 114110923) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID114110923
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1ccncn1
InChIInChI=1S/C12H18N4O/c13-11-4-2-1-3-10(11)12(17)15-7-9-5-6-14-8-16-9/h5-6,8,10-11H,1-4,7,13H2,(H,15,17)
InChIKeyZRCSGMLXPKLJMD-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
1-cyclopentyl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760594
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 64822050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide (CID 114110923) is 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCc1ccncn1.
What is the InChIKey of 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is ZRCSGMLXPKLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-4-2-1-3-10(11)12(17)15-7-9-5-6-14-8-16-9/h5-6,8,10-11H,1-4,7,13H2,(H,15,17).
What are the key properties of 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide?
2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114110923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).