N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

C12H13ClFN3 — CID 16804589

IUPACN-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2ccccc2F)n1.Cl
InChIInChI=1S/C12H12FN3.ClH/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13;/h3-7H,1-2H3,(H,14,15,16);1H
InChIKeyRYOCWWNFVVNJLQ-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.40
Rot. Bonds2

About N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride

N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 16804589) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID16804589
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC NameN-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2ccccc2F)n1.Cl
InChIInChI=1S/C12H12FN3.ClH/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13;/h3-7H,1-2H3,(H,14,15,16);1H
InChIKeyRYOCWWNFVVNJLQ-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908956
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929342
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 16804589) is N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(Nc2ccccc2F)n1.Cl.
What is the InChIKey of N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is RYOCWWNFVVNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3.ClH/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13;/h3-7H,1-2H3,(H,14,15,16);1H.
What are the key properties of N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 253.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 16804589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).