2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol

C12H19N3O2 — CID 97075977

IUPAC2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC[C@H]2C(C)(C)O)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyOPVQGLXXXSNPIU-VIFPVBQESA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds3

About 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 97075977) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID97075977
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC[C@H]2C(C)(C)O)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyOPVQGLXXXSNPIU-VIFPVBQESA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol 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

(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
1-[(2R)-2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758343
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544
2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129476738

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol (CID 97075977) is 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol is COc1ccnc(N2CCC[C@H]2C(C)(C)O)n1.
What is the InChIKey of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is OPVQGLXXXSNPIU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,16)9-5-4-8-15(9)11-13-7-6-10(14-11)17-3/h6-7,9,16H,4-5,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 97075977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).