6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid

C14H21N3O2 — CID 107553809

IUPAC6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-6-11(7-5-9)17(3)14-15-10(2)8-12(16-14)13(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyIYIUHHVXDZFFHB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds3

About 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid

6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107553809) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
PubChem CID107553809
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-6-11(7-5-9)17(3)14-15-10(2)8-12(16-14)13(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyIYIUHHVXDZFFHB-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553650
2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81053226
4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 60677924
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 107553927
2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546845
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109331431
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid (CID 107553809) is 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N(C)C2CCC(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is IYIUHHVXDZFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-6-11(7-5-9)17(3)14-15-10(2)8-12(16-14)13(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid?
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).