2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine

C14H27N5 — CID 80801033

IUPAC2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-7-16-13-8-15-9-14(18-13)17-12(11(2)3)10-19(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H2,16,17,18)
InChIKeyKTPBRLSZPYWMOD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds8

About 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80801033) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80801033
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-7-16-13-8-15-9-14(18-13)17-12(11(2)3)10-19(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H2,16,17,18)
InChIKeyKTPBRLSZPYWMOD-UHFFFAOYSA-N
XLogP2.30
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
CID 106028710
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
2-N-[1-(dimethylamino)propan-2-yl]pyrazine-2,6-diamine
CID 82949803
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
6-N-propyl-2-N-(1-pyridin-2-ylethyl)pyrazine-2,6-diamine
CID 80781351
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine (CID 80801033) is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NC(CN(C)C)C(C)C)n1.
What is the InChIKey of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is KTPBRLSZPYWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-7-16-13-8-15-9-14(18-13)17-12(11(2)3)10-19(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine?
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80801033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).