2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid

C14H21N3O3 — CID 66318282

IUPAC2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCOc1cc(NCC2(CC(=O)O)CCCCC2)ncn1
InChIInChI=1S/C14H21N3O3/c1-20-12-7-11(16-10-17-12)15-9-14(8-13(18)19)5-3-2-4-6-14/h7,10H,2-6,8-9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXXXDDXLDHORDED-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds6

About 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 66318282) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
PubChem CID66318282
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCOc1cc(NCC2(CC(=O)O)CCCCC2)ncn1
InChIInChI=1S/C14H21N3O3/c1-20-12-7-11(16-10-17-12)15-9-14(8-13(18)19)5-3-2-4-6-14/h7,10H,2-6,8-9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXXXDDXLDHORDED-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

[6-[(4-Tert-butylcyclohexyl)amino]pyrimidin-4-yl] butanoate
CID 67664776
5-(6-Methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 155273140
(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210171
(2S)-2-[(2,6-dimethoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210239
5,5-Dimethylhexanoic acid;6-methoxypyrimidin-4-amine
CID 172309226
7-[(4-Methoxypyrimidin-2-yl)amino]heptanoic acid
CID 43378929
2-Cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
CID 54901729
4-[(4-Methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 54921379
3-[(4-Methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55147108
1-[(4-Methoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61289787
1-[(4-Methoxypyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61290292
1-[(4-Methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 61291799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid (CID 66318282) is 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid is COc1cc(NCC2(CC(=O)O)CCCCC2)ncn1.
What is the InChIKey of 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is XXXDDXLDHORDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-12-7-11(16-10-17-12)15-9-14(8-13(18)19)5-3-2-4-6-14/h7,10H,2-6,8-9H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 66318282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).