2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid

C12H17N3O3 — CID 66324707

IUPAC2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
SMILESCCOc1ncnc(N(CC(=O)O)C2CC2)c1C
InChIInChI=1S/C12H17N3O3/c1-3-18-12-8(2)11(13-7-14-12)15(6-10(16)17)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyYUDNUINOVOOAGM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.24
Rot. Bonds6

About 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid

2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid (PubChem CID 66324707) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
PubChem CID66324707
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
SMILESCCOc1ncnc(N(CC(=O)O)C2CC2)c1C
InChIInChI=1S/C12H17N3O3/c1-3-18-12-8(2)11(13-7-14-12)15(6-10(16)17)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyYUDNUINOVOOAGM-UHFFFAOYSA-N
XLogP1.24
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Methoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258242
2-[(6-Ethoxy-5-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258322
2-[(6-Ethoxy-5-methylpyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799178
2-[(6-Ethoxypyrimidin-4-yl)-ethylamino]acetic acid
CID 66317658
2-[(6-Ethoxypyrimidin-4-yl)-methylamino]butanoic acid
CID 66317659
2-[(6-Ethoxypyrimidin-4-yl)-propylamino]acetic acid
CID 66317886
2-[Carboxymethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid
CID 66317893
Ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66318305
2-[(6-Ethoxypyrimidin-4-yl)-methylamino]acetic acid
CID 66318322
2-[Cyclopropylmethyl-(6-ethoxypyrimidin-4-yl)amino]acetic acid
CID 66318326
2-[(6-Ethoxypyrimidin-4-yl)-methylamino]propanoic acid
CID 66318332
Ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate
CID 66318533

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid (CID 66324707) is 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid is CCOc1ncnc(N(CC(=O)O)C2CC2)c1C.
What is the InChIKey of 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is YUDNUINOVOOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-12-8(2)11(13-7-14-12)15(6-10(16)17)9-4-5-9/h7,9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66324707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).