cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

C13H21N5O — CID 72895847

IUPACcis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCC(C)c1cc(N[C@H]2CCC[C@H]2C(N)=O)nc(N)n1
InChIInChI=1S/C13H21N5O/c1-7(2)10-6-11(18-13(15)17-10)16-9-5-3-4-8(9)12(14)19/h6-9H,3-5H2,1-2H3,(H2,14,19)(H3,15,16,17,18)/t8-,9+/m1/s1
InChIKeySRLXBYAZJSWNHK-BDAKNGLRSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds4

About cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 72895847) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID72895847
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Namecis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCC(C)c1cc(N[C@H]2CCC[C@H]2C(N)=O)nc(N)n1
InChIInChI=1S/C13H21N5O/c1-7(2)10-6-11(18-13(15)17-10)16-9-5-3-4-8(9)12(14)19/h6-9H,3-5H2,1-2H3,(H2,14,19)(H3,15,16,17,18)/t8-,9+/m1/s1
InChIKeySRLXBYAZJSWNHK-BDAKNGLRSA-N
XLogP1.25
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide 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 cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 72895847) is cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is CC(C)c1cc(N[C@H]2CCC[C@H]2C(N)=O)nc(N)n1.
What is the InChIKey of cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is SRLXBYAZJSWNHK-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H21N5O/c1-7(2)10-6-11(18-13(15)17-10)16-9-5-3-4-8(9)12(14)19/h6-9H,3-5H2,1-2H3,(H2,14,19)(H3,15,16,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 72895847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).