2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol

C8H13N3O — CID 138991302

IUPAC2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cnc(CC(N)CO)nc1
InChIInChI=1S/C8H13N3O/c1-6-3-10-8(11-4-6)2-7(9)5-12/h3-4,7,12H,2,5,9H2,1H3
InChIKeyBMJCMEAWGNCZOF-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.35
Rot. Bonds3

About 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol

2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol (PubChem CID 138991302) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
PubChem CID138991302
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cnc(CC(N)CO)nc1
InChIInChI=1S/C8H13N3O/c1-6-3-10-8(11-4-6)2-7(9)5-12/h3-4,7,12H,2,5,9H2,1H3
InChIKeyBMJCMEAWGNCZOF-UHFFFAOYSA-N
XLogP-0.35
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(5-methylpyrimidin-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 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol (CID 138991302) is 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol is Cc1cnc(CC(N)CO)nc1.
What is the InChIKey of 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol?
The InChIKey is BMJCMEAWGNCZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-10-8(11-4-6)2-7(9)5-12/h3-4,7,12H,2,5,9H2,1H3.
What are the key properties of 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol?
2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 138991302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).