4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine

C11H9F2N3S — CID 80892854

IUPAC4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3S/c1-14-11-15-5-4-10(16-11)17-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyIPTOUWCDQNLBKX-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.95
Rot. Bonds3

About 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine

4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine (PubChem CID 80892854) has the molecular formula C11H9F2N3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
PubChem CID80892854
Molecular FormulaC11H9F2N3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3S/c1-14-11-15-5-4-10(16-11)17-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyIPTOUWCDQNLBKX-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893816
2-chloro-6-(2,4-difluorophenyl)sulfanylpyridine
CID 60726004
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 115480572
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
CID 67256517
5-(2,4-difluorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-one
CID 71218058
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
4-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80886922
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 83082816

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine (CID 80892854) is 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine is CNc1nccc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The InChIKey is IPTOUWCDQNLBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3S/c1-14-11-15-5-4-10(16-11)17-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80892854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).