2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid

C9H11N3O2 — CID 83830305

IUPAC2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ccnc(C2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-8(14)5-11-7-3-4-10-9(12-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeySHFHXAVIOGPKRW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.85
Rot. Bonds4

About 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid

2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid (PubChem CID 83830305) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
PubChem CID83830305
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ccnc(C2CC2)n1
InChIInChI=1S/C9H11N3O2/c13-8(14)5-11-7-3-4-10-9(12-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeySHFHXAVIOGPKRW-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
CID 83857577
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186
2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83841041
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477162
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
CID 133300544
2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine
CID 133297581
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
CID 122572557

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid (CID 83830305) is 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1ccnc(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is SHFHXAVIOGPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8(14)5-11-7-3-4-10-9(12-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid?
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83830305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).