3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide

C12H17ClN4O — CID 114052834

IUPAC3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C12H17ClN4O/c1-7-5-10(13)16-12(15-7)17-11(18)8-3-2-4-9(14)6-8/h5,8-9H,2-4,6,14H2,1H3,(H,15,16,17,18)
InChIKeyAHZWKQQRNOBYOT-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.89
Rot. Bonds2

About 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide

3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide (PubChem CID 114052834) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
PubChem CID114052834
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C12H17ClN4O/c1-7-5-10(13)16-12(15-7)17-11(18)8-3-2-4-9(14)6-8/h5,8-9H,2-4,6,14H2,1H3,(H,15,16,17,18)
InChIKeyAHZWKQQRNOBYOT-UHFFFAOYSA-N
XLogP1.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
CID 63041784
4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)oxolane-3-carboxamide
CID 114052850
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide (CID 114052834) is 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide is Cc1cc(Cl)nc(NC(=O)C2CCCC(N)C2)n1.
What is the InChIKey of 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is AHZWKQQRNOBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-7-5-10(13)16-12(15-7)17-11(18)8-3-2-4-9(14)6-8/h5,8-9H,2-4,6,14H2,1H3,(H,15,16,17,18).
What are the key properties of 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide?
3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114052834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).