5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine

C21H25Cl2N3 — CID 18449330

IUPAC5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C1CC1)C1CC1
InChIInChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26)
InChIKeyAHURLKZRJLULLB-UHFFFAOYSA-N
MW390.36 g/mol
LogP6.18
Rot. Bonds7

About 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine

5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine (PubChem CID 18449330) has the molecular formula C21H25Cl2N3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine
PubChem CID18449330
Molecular FormulaC21H25Cl2N3
Molecular Weight390.36 g/mol
Exact Mass389.14
IUPAC Name5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C1CC1)C1CC1
InChIInChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26)
InChIKeyAHURLKZRJLULLB-UHFFFAOYSA-N
XLogP6.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine (CID 18449330) is 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C1CC1)C1CC1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine?
The InChIKey is AHURLKZRJLULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26).
What are the key properties of 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine has a molecular weight of 390.36 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine is sourced from PubChem (CID 18449330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).