2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine

C15H25N3 — CID 65399592

IUPAC2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-3-8-13-11-14(16-2)18-15(17-13)12-9-6-4-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyXWMORXDAAPFSBK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.91
Rot. Bonds4

About 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine

2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 65399592) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
PubChem CID65399592
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-3-8-13-11-14(16-2)18-15(17-13)12-9-6-4-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyXWMORXDAAPFSBK-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine (CID 65399592) is 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(C2CCCCCC2)n1.
What is the InChIKey of 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is XWMORXDAAPFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-8-13-11-14(16-2)18-15(17-13)12-9-6-4-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine?
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 65399592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).