1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine

C15H25N3 — CID 65389494

IUPAC1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H25N3/c1-11(16)8-12-9-17-14(18-10-12)13-4-6-15(2,3)7-5-13/h9-11,13H,4-8,16H2,1-3H3
InChIKeyHFXZQFRNBHYLIY-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.05
Rot. Bonds3

About 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine

1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine (PubChem CID 65389494) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine
PubChem CID65389494
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H25N3/c1-11(16)8-12-9-17-14(18-10-12)13-4-6-15(2,3)7-5-13/h9-11,13H,4-8,16H2,1-3H3
InChIKeyHFXZQFRNBHYLIY-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine (CID 65389494) is 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(C2CCC(C)(C)CC2)nc1.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is HFXZQFRNBHYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(16)8-12-9-17-14(18-10-12)13-4-6-15(2,3)7-5-13/h9-11,13H,4-8,16H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 65389494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).