[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol

C12H19N3O2 — CID 114178800

IUPAC[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCOc1ncnc(NC2CCCC2CO)c1C
InChIInChI=1S/C12H19N3O2/c1-8-11(13-7-14-12(8)17-2)15-10-5-3-4-9(10)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGXRIUWPYNLXSEC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.37
Rot. Bonds4

About [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol

[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 114178800) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID114178800
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCOc1ncnc(NC2CCCC2CO)c1C
InChIInChI=1S/C12H19N3O2/c1-8-11(13-7-14-12(8)17-2)15-10-5-3-4-9(10)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGXRIUWPYNLXSEC-UHFFFAOYSA-N
XLogP1.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 114178800) is [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol is COc1ncnc(NC2CCCC2CO)c1C.
What is the InChIKey of [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is GXRIUWPYNLXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(13-7-14-12(8)17-2)15-10-5-3-4-9(10)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 114178800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).