4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C21H23FN4 — CID 112873954

IUPAC4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H23FN4/c1-14-7-6-10-19(15(14)2)26-21-13-20(24-16(3)25-21)23-12-11-17-8-4-5-9-18(17)22/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25,26)
InChIKeyRZWCFVYXHVQMEF-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.94
Rot. Bonds6

About 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112873954) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112873954
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H23FN4/c1-14-7-6-10-19(15(14)2)26-21-13-20(24-16(3)25-21)23-12-11-17-8-4-5-9-18(17)22/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25,26)
InChIKeyRZWCFVYXHVQMEF-UHFFFAOYSA-N
XLogP4.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112873954) is 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCc2ccccc2F)cc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is RZWCFVYXHVQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-14-7-6-10-19(15(14)2)26-21-13-20(24-16(3)25-21)23-12-11-17-8-4-5-9-18(17)22/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 350.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112873954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).