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

C12H19N3O — CID 90832235

IUPAC2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1nc(C)c(C)c(NC2CCCC2O)n1
InChIInChI=1S/C12H19N3O/c1-7-8(2)13-9(3)14-12(7)15-10-5-4-6-11(10)16/h10-11,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyYXRGJRDSHZRIFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.73
Rot. Bonds2

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

2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 90832235) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
PubChem CID90832235
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1nc(C)c(C)c(NC2CCCC2O)n1
InChIInChI=1S/C12H19N3O/c1-7-8(2)13-9(3)14-12(7)15-10-5-4-6-11(10)16/h10-11,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyYXRGJRDSHZRIFB-UHFFFAOYSA-N
XLogP1.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol (CID 90832235) is 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol is Cc1nc(C)c(C)c(NC2CCCC2O)n1.
What is the InChIKey of 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is YXRGJRDSHZRIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-8(2)13-9(3)14-12(7)15-10-5-4-6-11(10)16/h10-11,16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 90832235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).