6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione

C13H22N4O3 — CID 11694833

IUPAC6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCC(O)CN2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-15-11(7-12(19)16(2)13(15)20)14-8-10(18)9-17-5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3
InChIKeyWFKRMRFKSKNYJY-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.05
Rot. Bonds5

About 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione

6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 11694833) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID11694833
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCC(O)CN2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-15-11(7-12(19)16(2)13(15)20)14-8-10(18)9-17-5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3
InChIKeyWFKRMRFKSKNYJY-UHFFFAOYSA-N
XLogP-1.05
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione 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

1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
CID 107644260
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 56891397
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(azepan-1-yl)-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 119070737

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione (CID 11694833) is 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NCC(O)CN2CCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WFKRMRFKSKNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-15-11(7-12(19)16(2)13(15)20)14-8-10(18)9-17-5-3-4-6-17/h7,10,14,18H,3-6,8-9H2,1-2H3.
What are the key properties of 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 11694833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).