6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine

C12H11ClFN3S — CID 112724528

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCc2ccccc2F)n1
InChIInChI=1S/C12H11ClFN3S/c1-18-12-16-10(13)6-11(17-12)15-7-8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyFFUVBDNBRUJANI-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.60
Rot. Bonds4

About 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 112724528) has the molecular formula C12H11ClFN3S and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID112724528
Molecular FormulaC12H11ClFN3S
Molecular Weight283.76 g/mol
Exact Mass283.03
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCc2ccccc2F)n1
InChIInChI=1S/C12H11ClFN3S/c1-18-12-16-10(13)6-11(17-12)15-7-8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyFFUVBDNBRUJANI-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
6-chloro-2-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80545855
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80546842
6-chloro-2-methylsulfanyl-N-[(4-methylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 80542468
4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine (CID 112724528) is 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(NCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FFUVBDNBRUJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3S/c1-18-12-16-10(13)6-11(17-12)15-7-8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 112724528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).