6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine

C15H26N4 — CID 80835703

IUPAC6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)(C)C2)c1C
InChIInChI=1S/C15H26N4/c1-5-8-16-13-12(2)14(18-11-17-13)19-9-6-7-15(3,4)10-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyHGYHOIKXBYPGDW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds4

About 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine

6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80835703) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80835703
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)(C)C2)c1C
InChIInChI=1S/C15H26N4/c1-5-8-16-13-12(2)14(18-11-17-13)19-9-6-7-15(3,4)10-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyHGYHOIKXBYPGDW-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 80835703) is 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC(C)(C)C2)c1C.
What is the InChIKey of 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is HGYHOIKXBYPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-8-16-13-12(2)14(18-11-17-13)19-9-6-7-15(3,4)10-19/h11H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80835703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).