1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

C18H20Cl3N5O — CID 134100501

IUPAC1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1.Cl
InChIInChI=1S/C18H19Cl2N5O.ClH/c1-18(2)24-16(21)23-17(22)25(18)13-7-8-15(14(20)9-13)26-10-11-3-5-12(19)6-4-11;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H
InChIKeyQHPXMQKXCHMLEV-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 134100501) has the molecular formula C18H20Cl3N5O and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID134100501
Molecular FormulaC18H20Cl3N5O
Molecular Weight428.75 g/mol
Exact Mass427.07
IUPAC Name1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1.Cl
InChIInChI=1S/C18H19Cl2N5O.ClH/c1-18(2)24-16(21)23-17(22)25(18)13-7-8-15(14(20)9-13)26-10-11-3-5-12(19)6-4-11;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H
InChIKeyQHPXMQKXCHMLEV-UHFFFAOYSA-N
XLogP4.18
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride with MolForge

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Related Compounds

1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 134103228
5-[[2-chloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 169377329
2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-dimethyl-2-phenylacetamide;ethanesulfonic acid
CID 87995723
6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44531620
1-[3-(2-chloro-4-fluorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 162664347
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530246
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
5-(4-chloro-3-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373756

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 134100501) is 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1.Cl.
What is the InChIKey of 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is QHPXMQKXCHMLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O.ClH/c1-18(2)24-16(21)23-17(22)25(18)13-7-8-15(14(20)9-13)26-10-11-3-5-12(19)6-4-11;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H.
What are the key properties of 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 428.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 134100501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).