5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

C15H25N3 — CID 65401369

IUPAC5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)C)CC2)nc(N)c1C
InChIInChI=1S/C15H25N3/c1-9(2)12-5-7-13(8-6-12)15-17-11(4)10(3)14(16)18-15/h9,12-13H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyWOWJIEWZHUGLIZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.61
Rot. Bonds2

About 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (PubChem CID 65401369) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
PubChem CID65401369
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)C)CC2)nc(N)c1C
InChIInChI=1S/C15H25N3/c1-9(2)12-5-7-13(8-6-12)15-17-11(4)10(3)14(16)18-15/h9,12-13H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyWOWJIEWZHUGLIZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (CID 65401369) is 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is Cc1nc(C2CCC(C(C)C)CC2)nc(N)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The InChIKey is WOWJIEWZHUGLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-9(2)12-5-7-13(8-6-12)15-17-11(4)10(3)14(16)18-15/h9,12-13H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 65401369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).