1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine

C8H13ClN4 — CID 116650911

IUPAC1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1cncc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-8(2,10)5-12-7-4-11-3-6(9)13-7/h3-4H,5,10H2,1-2H3,(H,12,13)
InChIKeyFOPDEZJFGUENGB-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.28
Rot. Bonds3

About 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine

1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine (PubChem CID 116650911) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
PubChem CID116650911
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1cncc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-8(2,10)5-12-7-4-11-3-6(9)13-7/h3-4H,5,10H2,1-2H3,(H,12,13)
InChIKeyFOPDEZJFGUENGB-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-prop-2-ynylpyrazin-2-amine
CID 107268148
6-[(6-chloropyrazin-2-yl)amino]-4,4-dimethylhexanoic acid
CID 114335451
6-chloro-N-methylpyrazin-2-amine
CID 26967011
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
CID 79350173
(E)-N'-(6-chloropyrazin-2-yl)but-2-ene-1,4-diamine
CID 116650934
(6-chloropyrazin-2-yl)hydrazine;hydrochloride
CID 90046317
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
1-N-(3,5-dibromo-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 130608023
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine (CID 116650911) is 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1cncc(Cl)n1.
What is the InChIKey of 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine?
The InChIKey is FOPDEZJFGUENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-8(2,10)5-12-7-4-11-3-6(9)13-7/h3-4H,5,10H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine?
1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 116650911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).