2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid

C14H21N3O2 — CID 65242738

IUPAC2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
SMILESCc1nccc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-11-15-9-6-12(16-11)17(2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyDKKOXYGWYRZGDP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds4

About 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid (PubChem CID 65242738) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
PubChem CID65242738
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
SMILESCc1nccc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-11-15-9-6-12(16-11)17(2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyDKKOXYGWYRZGDP-UHFFFAOYSA-N
XLogP2.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
CID 65243266
2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
CID 65243216
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
CID 65243369
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65237888
2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65243108
2-[1-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]cyclohexyl]acetic acid
CID 65240402
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid
CID 65240734
2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
CID 65242733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid (CID 65242738) is 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid is Cc1nccc(N(C)C2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid?
The InChIKey is DKKOXYGWYRZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-15-9-6-12(16-11)17(2)14(10-13(18)19)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).