(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol

C11H20N4O2 — CID 70856481

IUPAC(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)Nc1nc(N)ncc1OC
InChIInChI=1S/C11H20N4O2/c1-4-7(2)8(6-16)14-10-9(17-3)5-13-11(12)15-10/h5,7-8,16H,4,6H2,1-3H3,(H3,12,13,14,15)/t7-,8+/m0/s1
InChIKeyCARLDIVYSBQROQ-JGVFFNPUSA-N
MW240.31 g/mol
LogP0.89
Rot. Bonds6

About (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol

(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 70856481) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID70856481
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)Nc1nc(N)ncc1OC
InChIInChI=1S/C11H20N4O2/c1-4-7(2)8(6-16)14-10-9(17-3)5-13-11(12)15-10/h5,7-8,16H,4,6H2,1-3H3,(H3,12,13,14,15)/t7-,8+/m0/s1
InChIKeyCARLDIVYSBQROQ-JGVFFNPUSA-N
XLogP0.89
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-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 (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 70856481) is (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol is CC[C@H](C)[C@@H](CO)Nc1nc(N)ncc1OC.
What is the InChIKey of (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is CARLDIVYSBQROQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-7(2)8(6-16)14-10-9(17-3)5-13-11(12)15-10/h5,7-8,16H,4,6H2,1-3H3,(H3,12,13,14,15)/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol?
(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 70856481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).