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

C18H16FN5 — CID 122669668

IUPAC6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C18H16FN5/c1-12-7-14(19)9-15(8-12)24-6-3-16-13(11-24)10-22-18(23-16)17-20-4-2-5-21-17/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyFRUHSHLRKSBFGJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.94
Rot. Bonds2

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

6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669668) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669668
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C18H16FN5/c1-12-7-14(19)9-15(8-12)24-6-3-16-13(11-24)10-22-18(23-16)17-20-4-2-5-21-17/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyFRUHSHLRKSBFGJ-UHFFFAOYSA-N
XLogP2.94
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-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-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456018
2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456074
5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 58077208
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 86695862
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
3-fluoro-5-(5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 175063613
2-hydroxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121456158
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
5-(3-fluoro-5-methylphenyl)-8-methyl-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine
CID 58077276

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669668) is 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FRUHSHLRKSBFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-12-7-14(19)9-15(8-12)24-6-3-16-13(11-24)10-22-18(23-16)17-20-4-2-5-21-17/h2,4-5,7-10H,3,6,11H2,1H3.
What are the key properties of 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 321.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).