N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine

C12H12FN3 — CID 115416333

IUPACN-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(F)ncn2)c1
InChIInChI=1S/C12H12FN3/c1-8-3-4-9(2)10(5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyPZZSDEJNVIRMAM-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.98
Rot. Bonds2

About N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine

N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416333) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID115416333
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(F)ncn2)c1
InChIInChI=1S/C12H12FN3/c1-8-3-4-9(2)10(5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyPZZSDEJNVIRMAM-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880
N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine (CID 115416333) is N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine is Cc1ccc(C)c(Nc2cc(F)ncn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is PZZSDEJNVIRMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-3-4-9(2)10(5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine?
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 217.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).