methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate

C14H21N3O2 — CID 116975801

IUPACmethyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ncc(C2CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-14(2,12(18)19-3)17-13-15-8-11(9-16-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyOTEQJUPLUIGHQB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate

methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate (PubChem CID 116975801) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
PubChem CID116975801
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ncc(C2CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-14(2,12(18)19-3)17-13-15-8-11(9-16-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyOTEQJUPLUIGHQB-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate 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 methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate (CID 116975801) is methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1ncc(C2CCCC2)cn1.
What is the InChIKey of methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate?
The InChIKey is OTEQJUPLUIGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,12(18)19-3)17-13-15-8-11(9-16-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate?
methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 116975801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).