[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine

C16H27N3 — CID 65414644

IUPAC[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N3/c1-11-9-14(10-17)19-15(18-11)12-5-7-13(8-6-12)16(2,3)4/h9,12-13H,5-8,10,17H2,1-4H3
InChIKeyIABVUJGLUSHQDR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds2

About [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine

[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 65414644) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID65414644
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N3/c1-11-9-14(10-17)19-15(18-11)12-5-7-13(8-6-12)16(2,3)4/h9,12-13H,5-8,10,17H2,1-4H3
InChIKeyIABVUJGLUSHQDR-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine
CID 65412819
[2-cyclopropyl-6-(methoxymethyl)pyrimidin-4-yl]methanamine
CID 121206851
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438
[6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-yl]methanol
CID 65403208
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 65400374
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
CID 66306252
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine (CID 65414644) is [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is IABVUJGLUSHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-9-14(10-17)19-15(18-11)12-5-7-13(8-6-12)16(2,3)4/h9,12-13H,5-8,10,17H2,1-4H3.
What are the key properties of [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine?
[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 65414644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).