[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol

C15H25N3O — CID 133472380

IUPAC[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
SMILESCCc1cc(NC2CCCCCC2CO)nc(C)n1
InChIInChI=1S/C15H25N3O/c1-3-13-9-15(17-11(2)16-13)18-14-8-6-4-5-7-12(14)10-19/h9,12,14,19H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyPWPJCVGHMOAAJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds4

About [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol

[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol (PubChem CID 133472380) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol.

Molecular Properties

Compound Name[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
PubChem CID133472380
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
SMILESCCc1cc(NC2CCCCCC2CO)nc(C)n1
InChIInChI=1S/C15H25N3O/c1-3-13-9-15(17-11(2)16-13)18-14-8-6-4-5-7-12(14)10-19/h9,12,14,19H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyPWPJCVGHMOAAJR-UHFFFAOYSA-N
XLogP2.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol with MolForge

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Related Compounds

[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 133472420
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106364093
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
3-cyclohexyl-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
CID 133460886
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713

Frequently Asked Questions

What is the IUPAC name of [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The IUPAC name of [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol (CID 133472380) is [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol.
What is the SMILES notation for [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The canonical SMILES for [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol is CCc1cc(NC2CCCCCC2CO)nc(C)n1.
What is the InChIKey of [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
The InChIKey is PWPJCVGHMOAAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13-9-15(17-11(2)16-13)18-14-8-6-4-5-7-12(14)10-19/h9,12,14,19H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol?
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol is sourced from PubChem (CID 133472380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).