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

C20H19FN4O — CID 24929581

IUPAC6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C20H19FN4O/c1-26-19-4-2-3-17(21)16(19)13-25-10-7-18-15(12-25)11-23-20(24-18)14-5-8-22-9-6-14/h2-6,8-9,11H,7,10,12-13H2,1H3
InChIKeyGODHYNMDOZMVCK-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.24
Rot. Bonds4

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

6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929581) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929581
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C20H19FN4O/c1-26-19-4-2-3-17(21)16(19)13-25-10-7-18-15(12-25)11-23-20(24-18)14-5-8-22-9-6-14/h2-6,8-9,11H,7,10,12-13H2,1H3
InChIKeyGODHYNMDOZMVCK-UHFFFAOYSA-N
XLogP3.24
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929587
6-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929242
6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929443
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
2-(4-chlorophenyl)-6-[(4-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913713
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928964
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
3-methoxy-5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24930019
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912694
6-[(3-fluoro-2-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917268
6-[(2-fluoro-6-methoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24929584

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929581) is 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cccc(F)c1CN1CCc2nc(-c3ccncc3)ncc2C1.
What is the InChIKey of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GODHYNMDOZMVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-26-19-4-2-3-17(21)16(19)13-25-10-7-18-15(12-25)11-23-20(24-18)14-5-8-22-9-6-14/h2-6,8-9,11H,7,10,12-13H2,1H3.
What are the key properties of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 350.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).