2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid

C10H13N3O3 — CID 136921389

IUPAC2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESNc1nc(CC(=O)O)c(CC2CC2)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c11-10-12-7(4-8(14)15)6(9(16)13-10)3-5-1-2-5/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyJYUKIDDJYKTIQY-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds4

About 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid

2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid (PubChem CID 136921389) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid
PubChem CID136921389
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESNc1nc(CC(=O)O)c(CC2CC2)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c11-10-12-7(4-8(14)15)6(9(16)13-10)3-5-1-2-5/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyJYUKIDDJYKTIQY-UHFFFAOYSA-N
XLogP-0.07
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-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-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
2-[4-amino-2-(2,2-dimethylcyclopropyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136889966
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
CID 137248554
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
2-[5-amino-4-(cyclobutylmethyl)pyrimidin-2-yl]acetic acid
CID 96607277
2-amino-3-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)propanoic acid;dihydrochloride
CID 138987687
2-amino-4-benzyl-5-(2-hydroxypropyl)-1H-pyrimidin-6-one
CID 135459458
2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79220141
5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135473160
2-(5-amino-2H-triazol-4-yl)acetic acid
CID 154204437
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
CID 136828485

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid (CID 136921389) is 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid is Nc1nc(CC(=O)O)c(CC2CC2)c(=O)[nH]1.
What is the InChIKey of 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The InChIKey is JYUKIDDJYKTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-10-12-7(4-8(14)15)6(9(16)13-10)3-5-1-2-5/h5H,1-4H2,(H,14,15)(H3,11,12,13,16).
What are the key properties of 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 136921389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).