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

C14H25N5 — CID 80848440

IUPAC2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H25N5/c1-4-7-16-13-9-15-10-14(17-13)19(3)11-12-6-5-8-18(12)2/h9-10,12H,4-8,11H2,1-3H3,(H,16,17)
InChIKeyFEOAAEBUCRKUBF-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.83
Rot. Bonds6

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

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80848440) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80848440
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H25N5/c1-4-7-16-13-9-15-10-14(17-13)19(3)11-12-6-5-8-18(12)2/h9-10,12H,4-8,11H2,1-3H3,(H,16,17)
InChIKeyFEOAAEBUCRKUBF-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 79310791
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
2-N-methyl-2-N-(3-methylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80799805
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
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80848440) is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is FEOAAEBUCRKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-7-16-13-9-15-10-14(17-13)19(3)11-12-6-5-8-18(12)2/h9-10,12H,4-8,11H2,1-3H3,(H,16,17).
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.83, 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-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80848440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).