5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

C16H14FN3S2 — CID 23294048

IUPAC5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F
InChIInChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyUVMNFAJEGXNCSN-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.37
Rot. Bonds4

About 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 23294048) has the molecular formula C16H14FN3S2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID23294048
Molecular FormulaC16H14FN3S2
Molecular Weight331.44 g/mol
Exact Mass331.06
IUPAC Name5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F
InChIInChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyUVMNFAJEGXNCSN-UHFFFAOYSA-N
XLogP4.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carboxylic acid
CID 18799746
5-ethyl-3-(naphthalen-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 91686966
4-amino-2-[(4-cyanophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile
CID 15370313
3-(naphthalen-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 91686963
4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
CID 126096387
4-(naphthalen-2-ylmethylsulfanyl)phenol
CID 175432279
2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
CID 172559837
2-[(3,4-difluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 54028339
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
2-chloro-5-(naphthalen-2-ylsulfanylmethyl)aniline
CID 43519160
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 23294048) is 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is CSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is UVMNFAJEGXNCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 23294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).