6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

C15H25N3 — CID 62192977

IUPAC6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(c2nc(N)cc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3/c1-10-6-5-7-11(8-10)14-17-12(15(2,3)4)9-13(16)18-14/h9-11H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyBVPGKXCKZHLRNE-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.65
Rot. Bonds1

About 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 62192977) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID62192977
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(c2nc(N)cc(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3/c1-10-6-5-7-11(8-10)14-17-12(15(2,3)4)9-13(16)18-14/h9-11H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyBVPGKXCKZHLRNE-UHFFFAOYSA-N
XLogP3.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (CID 62192977) is 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is CC1CCCC(c2nc(N)cc(C(C)(C)C)n2)C1.
What is the InChIKey of 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is BVPGKXCKZHLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10-6-5-7-11(8-10)14-17-12(15(2,3)4)9-13(16)18-14/h9-11H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 62192977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).