2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine

C15H27N5 — CID 80827748

IUPAC2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-4-7-17-14-10-16-11-15(18-14)20(3)12-13-5-8-19(2)9-6-13/h10-11,13H,4-9,12H2,1-3H3,(H,17,18)
InChIKeyAQJSVKREJQDVSD-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.08
Rot. Bonds6

About 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80827748) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80827748
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-4-7-17-14-10-16-11-15(18-14)20(3)12-13-5-8-19(2)9-6-13/h10-11,13H,4-9,12H2,1-3H3,(H,17,18)
InChIKeyAQJSVKREJQDVSD-UHFFFAOYSA-N
XLogP2.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80848440
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
CID 112667733
2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80854761
3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
CID 104534547
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409
2-N-methyl-2-N-(3-methylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80799805

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80827748) is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is AQJSVKREJQDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-7-17-14-10-16-11-15(18-14)20(3)12-13-5-8-19(2)9-6-13/h10-11,13H,4-9,12H2,1-3H3,(H,17,18).
What are the key properties of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80827748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).