6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine

C19H21ClN6 — CID 10155924

IUPAC6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(CN(C)C)cc2)n1
InChIInChI=1S/C19H21ClN6/c1-12-4-7-14(20)10-16(12)17-23-18(21)25-19(24-17)22-15-8-5-13(6-9-15)11-26(2)3/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyPSKBQIPTOGPEHI-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.89
Rot. Bonds5

About 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine

6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 10155924) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID10155924
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(CN(C)C)cc2)n1
InChIInChI=1S/C19H21ClN6/c1-12-4-7-14(20)10-16(12)17-23-18(21)25-19(24-17)22-15-8-5-13(6-9-15)11-26(2)3/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyPSKBQIPTOGPEHI-UHFFFAOYSA-N
XLogP3.89
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine (CID 10155924) is 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(CN(C)C)cc2)n1.
What is the InChIKey of 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PSKBQIPTOGPEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-12-4-7-14(20)10-16(12)17-23-18(21)25-19(24-17)22-15-8-5-13(6-9-15)11-26(2)3/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10155924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).