2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine

C13H16ClN4+ — CID 142994509

IUPAC2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine
SMILESCc1cc(C)c(Nc2nc(Cl)[nH+]cc2N)c(C)c1
InChIInChI=1S/C13H15ClN4/c1-7-4-8(2)11(9(3)5-7)17-12-10(15)6-16-13(14)18-12/h4-6H,15H2,1-3H3,(H,16,17,18)/p+1
InChIKeyUFPFLKXUYOCGMX-UHFFFAOYSA-O
MW263.75 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine

2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine (PubChem CID 142994509) has the molecular formula C13H16ClN4+ and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine
PubChem CID142994509
Molecular FormulaC13H16ClN4+
Molecular Weight263.75 g/mol
Exact Mass263.11
IUPAC Name2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine
SMILESCc1cc(C)c(Nc2nc(Cl)[nH+]cc2N)c(C)c1
InChIInChI=1S/C13H15ClN4/c1-7-4-8(2)11(9(3)5-7)17-12-10(15)6-16-13(14)18-12/h4-6H,15H2,1-3H3,(H,16,17,18)/p+1
InChIKeyUFPFLKXUYOCGMX-UHFFFAOYSA-O
XLogP2.80
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 10220898
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
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
CID 82094933
5-(6-chloro-3-pyridinyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 87664229
5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine
CID 141033850
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine
CID 139729469
N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 110875095
6-methyl-5-(2,4,6-trimethylanilino)-2H-1,2,4-triazin-3-one
CID 4071477
5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 73406972
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine (CID 142994509) is 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine is Cc1cc(C)c(Nc2nc(Cl)[nH+]cc2N)c(C)c1.
What is the InChIKey of 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine?
The InChIKey is UFPFLKXUYOCGMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15ClN4/c1-7-4-8(2)11(9(3)5-7)17-12-10(15)6-16-13(14)18-12/h4-6H,15H2,1-3H3,(H,16,17,18)/p+1.
What are the key properties of 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine?
2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine has a molecular weight of 263.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,4,6-trimethylphenyl)pyrimidin-1-ium-4,5-diamine is sourced from PubChem (CID 142994509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).