6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H15FN4O2S — CID 24913097

IUPAC6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(Cc1cccnc1F)C2
InChIInChI=1S/C14H15FN4O2S/c1-22(20,21)14-17-7-11-9-19(6-4-12(11)18-14)8-10-3-2-5-16-13(10)15/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyOEAKTLUHMADAHJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.97
Rot. Bonds3

About 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913097) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913097
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(Cc1cccnc1F)C2
InChIInChI=1S/C14H15FN4O2S/c1-22(20,21)14-17-7-11-9-19(6-4-12(11)18-14)8-10-3-2-5-16-13(10)15/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyOEAKTLUHMADAHJ-UHFFFAOYSA-N
XLogP0.97
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913085
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917128
2-methylsulfonyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928199
6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928892
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912614
N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24917716
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837
4-methoxy-2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929711
[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908648
6-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910808

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913097) is 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ncc2c(n1)CCN(Cc1cccnc1F)C2.
What is the InChIKey of 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is OEAKTLUHMADAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-22(20,21)14-17-7-11-9-19(6-4-12(11)18-14)8-10-3-2-5-16-13(10)15/h2-3,5,7H,4,6,8-9H2,1H3.
What are the key properties of 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 322.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).