N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C25H32N6O4 — CID 2940993

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1
InChIInChI=1S/C25H32N6O4/c1-32-20-8-6-19(7-9-20)30-13-15-31(16-14-30)24-27-23(28-25(29-24)35-4)26-12-11-18-5-10-21(33-2)22(17-18)34-3/h5-10,17H,11-16H2,1-4H3,(H,26,27,28,29)
InChIKeyCHWCRJKZMXSFAV-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.89
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 2940993) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID2940993
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1
InChIInChI=1S/C25H32N6O4/c1-32-20-8-6-19(7-9-20)30-13-15-31(16-14-30)24-27-23(28-25(29-24)35-4)26-12-11-18-5-10-21(33-2)22(17-18)34-3/h5-10,17H,11-16H2,1-4H3,(H,26,27,28,29)
InChIKeyCHWCRJKZMXSFAV-UHFFFAOYSA-N
XLogP2.89
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 2940993) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is COc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is CHWCRJKZMXSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-32-20-8-6-19(7-9-20)30-13-15-31(16-14-30)24-27-23(28-25(29-24)35-4)26-12-11-18-5-10-21(33-2)22(17-18)34-3/h5-10,17H,11-16H2,1-4H3,(H,26,27,28,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 480.57 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 2940993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).