2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

C13H23N5 — CID 80791122

IUPAC2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2CCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-3-5-15-12-8-14-9-13(17-12)16-7-11-4-6-18(2)10-11/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17)
InChIKeyIDDMWLSMQAVEJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds6

About 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80791122) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80791122
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2CCN(C)C2)n1
InChIInChI=1S/C13H23N5/c1-3-5-15-12-8-14-9-13(17-12)16-7-11-4-6-18(2)10-11/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17)
InChIKeyIDDMWLSMQAVEJY-UHFFFAOYSA-N
XLogP1.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80778324
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 107421236
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933549
6-(3-ethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80793558
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80791122) is 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCC2CCN(C)C2)n1.
What is the InChIKey of 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is IDDMWLSMQAVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-5-15-12-8-14-9-13(17-12)16-7-11-4-6-18(2)10-11/h8-9,11H,3-7,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80791122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).