6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine

C17H30N4 — CID 80798586

IUPAC6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)C2C)c1CCC
InChIInChI=1S/C17H30N4/c1-5-8-15-16(18-10-6-2)19-12-20-17(15)21-11-7-9-13(3)14(21)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyHNCQYIBGOZZZQA-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.88
Rot. Bonds6

About 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine

6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 80798586) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
PubChem CID80798586
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)C2C)c1CCC
InChIInChI=1S/C17H30N4/c1-5-8-15-16(18-10-6-2)19-12-20-17(15)21-11-7-9-13(3)14(21)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyHNCQYIBGOZZZQA-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80822136
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine (CID 80798586) is 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC(C)C2C)c1CCC.
What is the InChIKey of 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is HNCQYIBGOZZZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-8-15-16(18-10-6-2)19-12-20-17(15)21-11-7-9-13(3)14(21)4/h12-14H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine?
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80798586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).