(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid

C15H23N5O2 — CID 68869726

IUPAC(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)O
InChIInChI=1S/C15H23N5O2/c1-10-9-19(6-7-20(10)15(21)22)13-8-12(17-14(16)18-13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,21,22)(H2,16,17,18)/t10-/m0/s1
InChIKeyRXYWQIHHJUZDKX-JTQLQIEISA-N
MW305.38 g/mol
LogP1.90
Rot. Bonds2

About (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid

(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 68869726) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
PubChem CID68869726
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)O
InChIInChI=1S/C15H23N5O2/c1-10-9-19(6-7-20(10)15(21)22)13-8-12(17-14(16)18-13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,21,22)(H2,16,17,18)/t10-/m0/s1
InChIKeyRXYWQIHHJUZDKX-JTQLQIEISA-N
XLogP1.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic 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 (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid (CID 68869726) is (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid is C[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)O.
What is the InChIKey of (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is RXYWQIHHJUZDKX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-9-19(6-7-20(10)15(21)22)13-8-12(17-14(16)18-13)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,21,22)(H2,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid?
(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68869726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).