[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride

C18H19Cl2N5O — CID 134110659

IUPAC[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)c2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C18H18ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)12-8-9-13(14(19)10-12)15(25)11-6-4-3-5-7-11;/h3-10H,1-2H3,(H4,20,21,22,23);1H
InChIKeyMQCDSTRGCWPSQZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.18
Rot. Bonds3

About [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride

[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride (PubChem CID 134110659) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride
PubChem CID134110659
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)c2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C18H18ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)12-8-9-13(14(19)10-12)15(25)11-6-4-3-5-7-11;/h3-10H,1-2H3,(H4,20,21,22,23);1H
InChIKeyMQCDSTRGCWPSQZ-UHFFFAOYSA-N
XLogP3.18
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride?
The IUPAC name of [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride (CID 134110659) is [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride?
The canonical SMILES for [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride is CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)c2ccccc2)c(Cl)c1.Cl.
What is the InChIKey of [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride?
The InChIKey is MQCDSTRGCWPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O.ClH/c1-18(2)23-16(20)22-17(21)24(18)12-8-9-13(14(19)10-12)15(25)11-6-4-3-5-7-11;/h3-10H,1-2H3,(H4,20,21,22,23);1H.
What are the key properties of [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride?
[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride has a molecular weight of 392.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 134110659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).