4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide

C12H18N4O — CID 116648065

IUPAC4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCC2)nc(N)c1C(N)=O
InChIInChI=1S/C12H18N4O/c1-7-9(11(14)17)10(13)16-12(15-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,14,17)(H2,13,15,16)
InChIKeyWDEHBAWBVGNXKO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide

4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide (PubChem CID 116648065) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
PubChem CID116648065
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCC2)nc(N)c1C(N)=O
InChIInChI=1S/C12H18N4O/c1-7-9(11(14)17)10(13)16-12(15-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,14,17)(H2,13,15,16)
InChIKeyWDEHBAWBVGNXKO-UHFFFAOYSA-N
XLogP1.51
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
CID 116648063
4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
CID 116648082
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
CID 116647635
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305298
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
CID 116647634
2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
CID 63559786
ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
CID 116647833
2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
CID 16773485
4-amino-6-methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 116648121

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide (CID 116648065) is 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCCC2)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is WDEHBAWBVGNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-9(11(14)17)10(13)16-12(15-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,14,17)(H2,13,15,16).
What are the key properties of 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide?
4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 116648065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).