1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

C18H21Cl2N5O — CID 134103228

IUPAC1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C18H20ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)13-8-9-15(14(19)10-13)25-11-12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H4,20,21,22,23);1H
InChIKeyVZYDKUAIYLSQQL-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 134103228) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID134103228
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C18H20ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)13-8-9-15(14(19)10-13)25-11-12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H4,20,21,22,23);1H
InChIKeyVZYDKUAIYLSQQL-UHFFFAOYSA-N
XLogP3.53
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 134100501
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
6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44531620
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
1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 21177173
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)aniline
CID 139501105
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;hydrochloride
CID 134106954
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
1-[3-(2-chloro-4-fluorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 162664347
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 134103228) is 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)c(Cl)c1.Cl.
What is the InChIKey of 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is VZYDKUAIYLSQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)13-8-9-15(14(19)10-13)25-11-12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H4,20,21,22,23);1H.
What are the key properties of 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 394.31 g/mol, XLogP of 3.53, 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-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 134103228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).