4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide

C14H22N4O — CID 116648063

IUPAC4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
SMILESCCC1CCC(c2nc(C)c(C(N)=O)c(N)n2)CC1
InChIInChI=1S/C14H22N4O/c1-3-9-4-6-10(7-5-9)14-17-8(2)11(13(16)19)12(15)18-14/h9-10H,3-7H2,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeyAYTYEZQYRZACAS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide

4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide (PubChem CID 116648063) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
PubChem CID116648063
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
SMILESCCC1CCC(c2nc(C)c(C(N)=O)c(N)n2)CC1
InChIInChI=1S/C14H22N4O/c1-3-9-4-6-10(7-5-9)14-17-8(2)11(13(16)19)12(15)18-14/h9-10H,3-7H2,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeyAYTYEZQYRZACAS-UHFFFAOYSA-N
XLogP2.15
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
CID 116648065
ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
CID 116647833
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
CID 116647634
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
CID 116646963
4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
CID 116648082
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
CID 116647635
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
4-(2-amino-2-oxoethyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 43395879
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
CID 136547615

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide (CID 116648063) is 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide is CCC1CCC(c2nc(C)c(C(N)=O)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is AYTYEZQYRZACAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-9-4-6-10(7-5-9)14-17-8(2)11(13(16)19)12(15)18-14/h9-10H,3-7H2,1-2H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide?
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 116648063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).