(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol

C12H21N3O — CID 170185908

IUPAC(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(C)nc(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-6-11(7-16)15-12-8(2)9(3)13-10(4)14-12/h11,16H,5-7H2,1-4H3,(H,13,14,15)/t11-/m1/s1
InChIKeyJLPARLRPYVKMAQ-LLVKDONJSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds5

About (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol

(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 170185908) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID170185908
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(C)nc(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-6-11(7-16)15-12-8(2)9(3)13-10(4)14-12/h11,16H,5-7H2,1-4H3,(H,13,14,15)/t11-/m1/s1
InChIKeyJLPARLRPYVKMAQ-LLVKDONJSA-N
XLogP1.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol (CID 170185908) is (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(C)nc(C)c1C.
What is the InChIKey of (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is JLPARLRPYVKMAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-11(7-16)15-12-8(2)9(3)13-10(4)14-12/h11,16H,5-7H2,1-4H3,(H,13,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol?
(2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 170185908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).