N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine

C12H22N4 — CID 60870239

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C)cnc1C
InChIInChI=1S/C12H22N4/c1-4-7-16(8-5-6-13)12-11(3)14-9-10(2)15-12/h9H,4-8,13H2,1-3H3
InChIKeyVWUXDIAIHBEGIX-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.66
Rot. Bonds6

About N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine

N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 60870239) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID60870239
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C)cnc1C
InChIInChI=1S/C12H22N4/c1-4-7-16(8-5-6-13)12-11(3)14-9-10(2)15-12/h9H,4-8,13H2,1-3H3
InChIKeyVWUXDIAIHBEGIX-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-3,6-dimethylpyrazin-2-amine
CID 518401
N,N-dihexyl-3,6-dimethylpyrazin-2-amine
CID 518224
N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 60870620
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 80758520
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 65169679
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 55218668
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544
3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
CID 61175355

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine (CID 60870239) is N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1nc(C)cnc1C.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is VWUXDIAIHBEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-7-16(8-5-6-13)12-11(3)14-9-10(2)15-12/h9H,4-8,13H2,1-3H3.
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 60870239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).