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

C10H18N4O2 — CID 70856471

IUPAC(2S)-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-/m0/s1
InChIKeyZMYASRXDRDQJIG-ZETCQYMHSA-N
MW226.28 g/mol
LogP0.64
Rot. Bonds6

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

(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 70856471) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
PubChem CID70856471
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-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-/m0/s1
InChIKeyZMYASRXDRDQJIG-ZETCQYMHSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (CID 70856471) is (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(N)ncc1OC.
What is the InChIKey of (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is ZMYASRXDRDQJIG-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
(2S)-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 (2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 70856471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).