5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine

C19H20ClN5 — CID 141033850

IUPAC5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(Nc3ccccc3)nc(N)c2Cl)c(C)c1
InChIInChI=1S/C19H20ClN5/c1-11-9-12(2)16(13(3)10-11)23-18-15(20)17(21)24-19(25-18)22-14-7-5-4-6-8-14/h4-10H,1-3H3,(H4,21,22,23,24,25)
InChIKeyXUYORFQOVBWRKQ-UHFFFAOYSA-N
MW353.86 g/mol
LogP5.12
Rot. Bonds4

About 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine

5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 141033850) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine
PubChem CID141033850
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(Nc3ccccc3)nc(N)c2Cl)c(C)c1
InChIInChI=1S/C19H20ClN5/c1-11-9-12(2)16(13(3)10-11)23-18-15(20)17(21)24-19(25-18)22-14-7-5-4-6-8-14/h4-10H,1-3H3,(H4,21,22,23,24,25)
InChIKeyXUYORFQOVBWRKQ-UHFFFAOYSA-N
XLogP5.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.86
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065
6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 141013232
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845
2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 86574097
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728
2-N-(3-chlorophenyl)-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine
CID 3756712
2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine
CID 142994509
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine (CID 141033850) is 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine is Cc1cc(C)c(Nc2nc(Nc3ccccc3)nc(N)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is XUYORFQOVBWRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-11-9-12(2)16(13(3)10-11)23-18-15(20)17(21)24-19(25-18)22-14-7-5-4-6-8-14/h4-10H,1-3H3,(H4,21,22,23,24,25).
What are the key properties of 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine?
5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 353.86 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 141033850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).