[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine

C15H25N3 — CID 65412819

IUPAC[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)C1CCC(c2ncc(CN)cn2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h9-10,12-13H,4-8,16H2,1-3H3
InChIKeyYRKUWVIWZLYOMB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds2

About [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine

[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine (PubChem CID 65412819) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine
PubChem CID65412819
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)C1CCC(c2ncc(CN)cn2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h9-10,12-13H,4-8,16H2,1-3H3
InChIKeyYRKUWVIWZLYOMB-UHFFFAOYSA-N
XLogP3.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine (CID 65412819) is [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine is CC(C)(C)C1CCC(c2ncc(CN)cn2)CC1.
What is the InChIKey of [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine?
The InChIKey is YRKUWVIWZLYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h9-10,12-13H,4-8,16H2,1-3H3.
What are the key properties of [2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine?
[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 3.26, 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)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 65412819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).