1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride

C13H19Cl2N5 — CID 56675714

IUPAC1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN5.ClH/c1-3-13(2)18-11(15)17-12(16)19(13)8-9-4-6-10(14)7-5-9;/h4-7H,3,8H2,1-2H3,(H4,15,16,17,18);1H
InChIKeySKUPRYRCKIRQHT-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.33
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride

1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 56675714) has the molecular formula C13H19Cl2N5 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID56675714
Molecular FormulaC13H19Cl2N5
Molecular Weight316.24 g/mol
Exact Mass315.10
IUPAC Name1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN5.ClH/c1-3-13(2)18-11(15)17-12(16)19(13)8-9-4-6-10(14)7-5-9;/h4-7H,3,8H2,1-2H3,(H4,15,16,17,18);1H
InChIKeySKUPRYRCKIRQHT-UHFFFAOYSA-N
XLogP2.33
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 56675714) is 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride is CCC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is SKUPRYRCKIRQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5.ClH/c1-3-13(2)18-11(15)17-12(16)19(13)8-9-4-6-10(14)7-5-9;/h4-7H,3,8H2,1-2H3,(H4,15,16,17,18);1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 316.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 56675714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).