(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

Related Compounds

tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 68545431
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 69098635
4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623971
4-cyclohexyl-6-(6-nitro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amine
CID 68543138
2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 175150650
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
4-(4-carbamoyl-3,5-difluorophenyl)-2-methylpiperazine-1-carboxylic acid
CID 130202864
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclohexylpyrimidin-2-amine
CID 53257801
6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68547275

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).