3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C11H19N5O — CID 80827064

IUPAC3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1cc(N2CCCC2CCCO)nc(N)n1
InChIInChI=1S/C11H19N5O/c12-9-7-10(15-11(13)14-9)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2,(H4,12,13,14,15)
InChIKeyRFOBXNHDPUPJDO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.38
Rot. Bonds4

About 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80827064) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80827064
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1cc(N2CCCC2CCCO)nc(N)n1
InChIInChI=1S/C11H19N5O/c12-9-7-10(15-11(13)14-9)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2,(H4,12,13,14,15)
InChIKeyRFOBXNHDPUPJDO-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol 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 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 80827064) is 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is Nc1cc(N2CCCC2CCCO)nc(N)n1.
What is the InChIKey of 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RFOBXNHDPUPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-9-7-10(15-11(13)14-9)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2,(H4,12,13,14,15).
What are the key properties of 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 237.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80827064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).