2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid

C12H17N3O3 — CID 94077289

IUPAC2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid
SMILESCCc1cc(OCC(=O)O)nc(NCC2CC2)n1
InChIInChI=1S/C12H17N3O3/c1-2-9-5-10(18-7-11(16)17)15-12(14-9)13-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyBKAKRHFZUGROJX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid

2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid (PubChem CID 94077289) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid
PubChem CID94077289
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid
SMILESCCc1cc(OCC(=O)O)nc(NCC2CC2)n1
InChIInChI=1S/C12H17N3O3/c1-2-9-5-10(18-7-11(16)17)15-12(14-9)13-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyBKAKRHFZUGROJX-UHFFFAOYSA-N
XLogP1.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
2-[6-ethyl-2-(N-prop-2-enylanilino)pyrimidin-4-yl]oxyacetic acid
CID 95924866
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 95922640
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526419
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 118724773
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid (CID 94077289) is 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid is CCc1cc(OCC(=O)O)nc(NCC2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid?
The InChIKey is BKAKRHFZUGROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-9-5-10(18-7-11(16)17)15-12(14-9)13-6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid?
2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)-6-ethylpyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 94077289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).