2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine

C14H24N4 — CID 107421236

IUPAC2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2CCCC2C)n1
InChIInChI=1S/C14H24N4/c1-3-7-16-13-9-15-10-14(18-13)17-8-12-6-4-5-11(12)2/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyHPDXFWNMWMMSGV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.15
Rot. Bonds6

About 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 107421236) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID107421236
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2CCCC2C)n1
InChIInChI=1S/C14H24N4/c1-3-7-16-13-9-15-10-14(18-13)17-8-12-6-4-5-11(12)2/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyHPDXFWNMWMMSGV-UHFFFAOYSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dimethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80777015
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814880
5-methyl-N-[(2-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107419285
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 80770120
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
6-N-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107421207
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 107421236) is 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCC2CCCC2C)n1.
What is the InChIKey of 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is HPDXFWNMWMMSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-16-13-9-15-10-14(18-13)17-8-12-6-4-5-11(12)2/h9-12H,3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 107421236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).