5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine

C14H23BrN4 — CID 80767611

IUPAC5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23BrN4/c1-4-5-16-14-17-7-12(15)13(18-14)19-8-10(2)6-11(3)9-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyDMKYIHJFIRGQJT-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine

5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80767611) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80767611
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H23BrN4/c1-4-5-16-14-17-7-12(15)13(18-14)19-8-10(2)6-11(3)9-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyDMKYIHJFIRGQJT-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928074
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80855237
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
4-(3,5-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80767776
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine (CID 80767611) is 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is DMKYIHJFIRGQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-4-5-16-14-17-7-12(15)13(18-14)19-8-10(2)6-11(3)9-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80767611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).