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

C16H18FN3O2 — CID 86773118

IUPAC6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(F)cc1CN1CCc2ncnc(OC)c2C1
InChIInChI=1S/C16H18FN3O2/c1-21-15-4-3-12(17)7-11(15)8-20-6-5-14-13(9-20)16(22-2)19-10-18-14/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyALSOSOANOAZAEN-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.19
Rot. Bonds4

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

6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86773118) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86773118
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(F)cc1CN1CCc2ncnc(OC)c2C1
InChIInChI=1S/C16H18FN3O2/c1-21-15-4-3-12(17)7-11(15)8-20-6-5-14-13(9-20)16(22-2)19-10-18-14/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyALSOSOANOAZAEN-UHFFFAOYSA-N
XLogP2.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773233
2-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 86773101
5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-methyl-1,3-thiazole
CID 86773157
5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350
4-methoxy-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86773664
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 158726618
3-cyclopropyl-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 86773174
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116
2-(3-fluorophenyl)-1-(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 97404876
(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 175900181
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928810
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86773118) is 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(F)cc1CN1CCc2ncnc(OC)c2C1.
What is the InChIKey of 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ALSOSOANOAZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-15-4-3-12(17)7-11(15)8-20-6-5-14-13(9-20)16(22-2)19-10-18-14/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 303.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-methoxyphenyl)methyl]-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86773118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).