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

C13H19N3O3 — CID 64700402

IUPAC2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid
SMILESCOc1ccnc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-10-5-8-14-12(15-10)16-13(9-11(17)18)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJPSIVPSHTUAEFA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

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

2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 64700402) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid
PubChem CID64700402
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid
SMILESCOc1ccnc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-10-5-8-14-12(15-10)16-13(9-11(17)18)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJPSIVPSHTUAEFA-UHFFFAOYSA-N
XLogP2.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 97327723
Pyrimidin-4-yl cyclohexanecarboxylate
CID 53670538
Ethyl 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetate
CID 67701570
(2S)-2-[(4-methoxypyrimidin-2-yl)amino]-5,5-dimethylhexanoic acid
CID 172210193
6-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43378923
7-[(4-Methoxypyrimidin-2-yl)amino]heptanoic acid
CID 43378929
2-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43470263
2-[(4-Methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
2-[1-(4-Methoxypyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 54899529
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-[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 55049653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid (CID 64700402) is 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid is COc1ccnc(NC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is JPSIVPSHTUAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-10-5-8-14-12(15-10)16-13(9-11(17)18)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).