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

C22H25ClN6O3 — CID 2901969

IUPACN-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc(OC)c(Cl)c4)nc(OC)n3)CC2)cc1
InChIInChI=1S/C22H25ClN6O3/c1-30-17-7-5-16(6-8-17)28-10-12-29(13-11-28)21-25-20(26-22(27-21)32-3)24-15-4-9-19(31-2)18(23)14-15/h4-9,14H,10-13H2,1-3H3,(H,24,25,26,27)
InChIKeySQVDIWBNJVCQHN-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.62
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 2901969) has the molecular formula C22H25ClN6O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID2901969
Molecular FormulaC22H25ClN6O3
Molecular Weight456.93 g/mol
Exact Mass456.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc(OC)c(Cl)c4)nc(OC)n3)CC2)cc1
InChIInChI=1S/C22H25ClN6O3/c1-30-17-7-5-16(6-8-17)28-10-12-29(13-11-28)21-25-20(26-22(27-21)32-3)24-15-4-9-19(31-2)18(23)14-15/h4-9,14H,10-13H2,1-3H3,(H,24,25,26,27)
InChIKeySQVDIWBNJVCQHN-UHFFFAOYSA-N
XLogP3.62
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1256691
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
N-[4-[chloro(difluoro)methoxy]phenyl]-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 5091828
2-[[4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethanol
CID 2180929
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866020
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
2-N-(3-chloro-4-methylphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 666419
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 558859

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 2901969) is N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is COc1ccc(N2CCN(c3nc(Nc4ccc(OC)c(Cl)c4)nc(OC)n3)CC2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is SQVDIWBNJVCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3/c1-30-17-7-5-16(6-8-17)28-10-12-29(13-11-28)21-25-20(26-22(27-21)32-3)24-15-4-9-19(31-2)18(23)14-15/h4-9,14H,10-13H2,1-3H3,(H,24,25,26,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 456.93 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 2901969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).