4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

C10H9FN4OS — CID 136733822

IUPAC4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN4OS/c11-7-1-6(3-13-4-7)5-17-10-14-8(12)2-9(16)15-10/h1-4H,5H2,(H3,12,14,15,16)
InChIKeySFHHGVQOLAHSMT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.18
Rot. Bonds3

About 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 136733822) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID136733822
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN4OS/c11-7-1-6(3-13-4-7)5-17-10-14-8(12)2-9(16)15-10/h1-4H,5H2,(H3,12,14,15,16)
InChIKeySFHHGVQOLAHSMT-UHFFFAOYSA-N
XLogP1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136726580
4-amino-2-[(3-iodophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135476156
4-amino-2-[(3-amino-4-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136999058
4-amino-2-[3-(aminomethyl)-5-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 136955856
4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135463640
4-amino-2-(2-bromoethylsulfanyl)-1H-pyrimidin-6-one
CID 135703673
2-[4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 136846961
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
4-amino-2-[(4-bromothiophen-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135991818
4-amino-2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473640
4-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135561627

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 136733822) is 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCc2cncc(F)c2)n1.
What is the InChIKey of 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is SFHHGVQOLAHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-7-1-6(3-13-4-7)5-17-10-14-8(12)2-9(16)15-10/h1-4H,5H2,(H3,12,14,15,16).
What are the key properties of 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).