2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine

C13H15ClN4 — CID 80760387

IUPAC2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-2-6-16-12-8-15-9-13(18-12)17-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyWLSUIQOUDPABTP-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.70
Rot. Bonds5

About 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine

2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80760387) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80760387
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-2-6-16-12-8-15-9-13(18-12)17-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyWLSUIQOUDPABTP-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
N-(3-chlorophenyl)-6-(5-ethyl-3-pyridinyl)pyrazin-2-amine
CID 58774159
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dipropylpropane-1,3-diamine
CID 142130337
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80809197

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine (CID 80760387) is 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is WLSUIQOUDPABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-6-16-12-8-15-9-13(18-12)17-11-5-3-4-10(14)7-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80760387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).