4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid

C13H19N3O2 — CID 116647411

IUPAC4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCCCC2)nc(N)c1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-10(13(17)18)11(14)16-12(15-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyROXOGZYKPSSUSG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.50
Rot. Bonds2

About 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid

4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid (PubChem CID 116647411) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
PubChem CID116647411
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCCCCC2)nc(N)c1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-10(13(17)18)11(14)16-12(15-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyROXOGZYKPSSUSG-UHFFFAOYSA-N
XLogP2.50
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
CID 116648065
2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
CID 16773485
5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid
CID 96596815
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
CID 116648063
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
CID 116647303
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
methyl 4-amino-2-(3-ethylcyclohexyl)-6-methylpyrimidine-5-carboxylate
CID 116647635
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305298
4-(2-amino-2-oxoethyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 43395879
4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
CID 116648082
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid (CID 116647411) is 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid is Cc1nc(C2CCCCCC2)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is ROXOGZYKPSSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-10(13(17)18)11(14)16-12(15-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).