2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid

C9H13N3O2 — CID 84666078

IUPAC2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
SMILESCC(C)Nc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-6(2)12-9-10-4-7(5-11-9)3-8(13)14/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyLKVZOXIXKYMMRQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds4

About 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid

2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid (PubChem CID 84666078) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
PubChem CID84666078
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
SMILESCC(C)Nc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c1-6(2)12-9-10-4-7(5-11-9)3-8(13)14/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyLKVZOXIXKYMMRQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
(2S)-4-methylsulfanyl-2-[[2-(propan-2-ylamino)pyrimidin-5-yl]methylamino]butanoic acid
CID 95003313
2-(2-bromopyrimidin-5-yl)acetic acid
CID 119023982
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
N-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidin-2-amine
CID 102536345
5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
CID 154136331
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
CID 172587797
3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
CID 14056318
3-[(5-cyclohexylpyrimidin-2-yl)amino]butanoic acid
CID 116975261
N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
CID 77092688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid (CID 84666078) is 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid is CC(C)Nc1ncc(CC(=O)O)cn1.
What is the InChIKey of 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid?
The InChIKey is LKVZOXIXKYMMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)12-9-10-4-7(5-11-9)3-8(13)14/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid?
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84666078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).