4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine

C11H11ClFN5 — CID 107371108

IUPAC4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2cc(F)cc(Cl)c2)nc(N)n1
InChIInChI=1S/C11H11ClFN5/c1-15-9-5-10(18-11(14)17-9)16-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H4,14,15,16,17,18)
InChIKeyVMLXYUMLMCDHCC-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.64
Rot. Bonds3

About 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 107371108) has the molecular formula C11H11ClFN5 and a molecular weight of 267.70 g/mol. Its IUPAC name is 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID107371108
Molecular FormulaC11H11ClFN5
Molecular Weight267.70 g/mol
Exact Mass267.07
IUPAC Name4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2cc(F)cc(Cl)c2)nc(N)n1
InChIInChI=1S/C11H11ClFN5/c1-15-9-5-10(18-11(14)17-9)16-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H4,14,15,16,17,18)
InChIKeyVMLXYUMLMCDHCC-UHFFFAOYSA-N
XLogP2.64
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107371100
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699
N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 107371189
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
6-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107368827

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 107371108) is 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(Nc2cc(F)cc(Cl)c2)nc(N)n1.
What is the InChIKey of 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is VMLXYUMLMCDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5/c1-15-9-5-10(18-11(14)17-9)16-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 267.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 107371108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).