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

C22H27Cl2N3 — CID 53310277

IUPACN,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine
SMILESCCc1nc(N(CC2CC2)CC2CC2)c(CC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H27Cl2N3/c1-3-19-21(17-10-9-16(23)11-18(17)24)25-20(4-2)22(26-19)27(12-14-5-6-14)13-15-7-8-15/h9-11,14-15H,3-8,12-13H2,1-2H3
InChIKeyOEMVORCQPXPJOT-UHFFFAOYSA-N
MW404.39 g/mol
LogP6.20
Rot. Bonds8

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

N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine (PubChem CID 53310277) has the molecular formula C22H27Cl2N3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine
PubChem CID53310277
Molecular FormulaC22H27Cl2N3
Molecular Weight404.39 g/mol
Exact Mass403.16
IUPAC NameN,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine
SMILESCCc1nc(N(CC2CC2)CC2CC2)c(CC)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H27Cl2N3/c1-3-19-21(17-10-9-16(23)11-18(17)24)25-20(4-2)22(26-19)27(12-14-5-6-14)13-15-7-8-15/h9-11,14-15H,3-8,12-13H2,1-2H3
InChIKeyOEMVORCQPXPJOT-UHFFFAOYSA-N
XLogP6.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine (CID 53310277) is N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine is CCc1nc(N(CC2CC2)CC2CC2)c(CC)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine?
The InChIKey is OEMVORCQPXPJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3/c1-3-19-21(17-10-9-16(23)11-18(17)24)25-20(4-2)22(26-19)27(12-14-5-6-14)13-15-7-8-15/h9-11,14-15H,3-8,12-13H2,1-2H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine?
N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine has a molecular weight of 404.39 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine is sourced from PubChem (CID 53310277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).