2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

C13H18N4O3 — CID 136958453

IUPAC2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H18N4O3/c18-11-7-10(14-13(15-11)9-1-2-9)17-5-3-16(4-6-17)8-12(19)20/h7,9H,1-6,8H2,(H,19,20)(H,14,15,18)
InChIKeyNKEOCDLMFQXEHQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.15
Rot. Bonds4

About 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 136958453) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID136958453
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H18N4O3/c18-11-7-10(14-13(15-11)9-1-2-9)17-5-3-16(4-6-17)8-12(19)20/h7,9H,1-6,8H2,(H,19,20)(H,14,15,18)
InChIKeyNKEOCDLMFQXEHQ-UHFFFAOYSA-N
XLogP-0.15
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 136958453) is 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is NKEOCDLMFQXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-11-7-10(14-13(15-11)9-1-2-9)17-5-3-16(4-6-17)8-12(19)20/h7,9H,1-6,8H2,(H,19,20)(H,14,15,18).
What are the key properties of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 136958453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).