[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol

C13H21N3O — CID 75495068

IUPAC[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
SMILESCc1nccc(NC2CCCCCC2CO)n1
InChIInChI=1S/C13H21N3O/c1-10-14-8-7-13(15-10)16-12-6-4-2-3-5-11(12)9-17/h7-8,11-12,17H,2-6,9H2,1H3,(H,14,15,16)
InChIKeyYOYHOGQSPJEWKD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

About [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol

[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol (PubChem CID 75495068) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol.

Molecular Properties

Compound Name[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
PubChem CID75495068
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
SMILESCc1nccc(NC2CCCCCC2CO)n1
InChIInChI=1S/C13H21N3O/c1-10-14-8-7-13(15-10)16-12-6-4-2-3-5-11(12)9-17/h7-8,11-12,17H,2-6,9H2,1H3,(H,14,15,16)
InChIKeyYOYHOGQSPJEWKD-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The IUPAC name of [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol (CID 75495068) is [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol.
What is the SMILES notation for [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The canonical SMILES for [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol is Cc1nccc(NC2CCCCCC2CO)n1.
What is the InChIKey of [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The InChIKey is YOYHOGQSPJEWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-14-8-7-13(15-10)16-12-6-4-2-3-5-11(12)9-17/h7-8,11-12,17H,2-6,9H2,1H3,(H,14,15,16).
What are the key properties of [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
[2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol is sourced from PubChem (CID 75495068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).