[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol

C18H31N3O2 — CID 133412384

IUPAC[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
SMILESCOCc1cc(NC2CCCCCC2CO)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)17-19-14(12-23-4)10-16(21-17)20-15-9-7-5-6-8-13(15)11-22/h10,13,15,22H,5-9,11-12H2,1-4H3,(H,19,20,21)
InChIKeyDDXJEFONSWEBRF-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.27
Rot. Bonds5

About [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol

[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol (PubChem CID 133412384) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol.

Molecular Properties

Compound Name[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
PubChem CID133412384
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
SMILESCOCc1cc(NC2CCCCCC2CO)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)17-19-14(12-23-4)10-16(21-17)20-15-9-7-5-6-8-13(15)11-22/h10,13,15,22H,5-9,11-12H2,1-4H3,(H,19,20,21)
InChIKeyDDXJEFONSWEBRF-UHFFFAOYSA-N
XLogP3.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol with MolForge

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Related Compounds

2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 133412286
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
[(1S,4R)-4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 133402823
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257

Frequently Asked Questions

What is the IUPAC name of [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol?
The IUPAC name of [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol (CID 133412384) is [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol.
What is the SMILES notation for [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol?
The canonical SMILES for [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol is COCc1cc(NC2CCCCCC2CO)nc(C(C)(C)C)n1.
What is the InChIKey of [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol?
The InChIKey is DDXJEFONSWEBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-18(2,3)17-19-14(12-23-4)10-16(21-17)20-15-9-7-5-6-8-13(15)11-22/h10,13,15,22H,5-9,11-12H2,1-4H3,(H,19,20,21).
What are the key properties of [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol?
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol has a molecular weight of 321.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol is sourced from PubChem (CID 133412384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).