(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol

C10H18N4O2 — CID 70856504

IUPAC(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(N)ncc1OC
InChIInChI=1S/C10H18N4O2/c1-3-4-7(6-15)13-9-8(16-2)5-12-10(11)14-9/h5,7,15H,3-4,6H2,1-2H3,(H3,11,12,13,14)/t7-/m1/s1
InChIKeyZMYASRXDRDQJIG-SSDOTTSWSA-N
MW226.28 g/mol
LogP0.64
Rot. Bonds6

About (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol

(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 70856504) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
PubChem CID70856504
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(N)ncc1OC
InChIInChI=1S/C10H18N4O2/c1-3-4-7(6-15)13-9-8(16-2)5-12-10(11)14-9/h5,7,15H,3-4,6H2,1-2H3,(H3,11,12,13,14)/t7-/m1/s1
InChIKeyZMYASRXDRDQJIG-SSDOTTSWSA-N
XLogP0.64
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-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

Related Compounds

(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptan-1-ol
CID 66575871
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856437
4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856471
(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856477
(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 70856481
4-N-(2-cyclopropylethyl)-5-methoxypyrimidine-2,4-diamine
CID 70856123
4-N-butyl-5-propoxypyrimidine-2,4-diamine
CID 70856429
4-N-butyl-5-ethoxypyrimidine-2,4-diamine
CID 70856441
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447
5-methoxy-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 70856478
5-methoxy-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 89037059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (CID 70856504) is (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(N)ncc1OC.
What is the InChIKey of (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is ZMYASRXDRDQJIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-7(6-15)13-9-8(16-2)5-12-10(11)14-9/h5,7,15H,3-4,6H2,1-2H3,(H3,11,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 70856504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).