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

C20H18FN5 — CID 121456018

IUPAC6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cc(C2CC2)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C20H18FN5/c21-16-8-14(13-2-3-13)9-17(10-16)26-7-4-18-15(12-26)11-24-20(25-18)19-22-5-1-6-23-19/h1,5-6,8-11,13H,2-4,7,12H2
InChIKeyZVCVGMRQGIMJKG-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.51
Rot. Bonds3

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

6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121456018) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121456018
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cc(C2CC2)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C20H18FN5/c21-16-8-14(13-2-3-13)9-17(10-16)26-7-4-18-15(12-26)11-24-20(25-18)19-22-5-1-6-23-19/h1,5-6,8-11,13H,2-4,7,12H2
InChIKeyZVCVGMRQGIMJKG-UHFFFAOYSA-N
XLogP3.51
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669668
2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456074
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
5-(3,5-difluorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 46932860
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
6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669681
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine
CID 139368515
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 142341766

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121456018) is 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cc(C2CC2)cc(N2CCc3nc(-c4ncccn4)ncc3C2)c1.
What is the InChIKey of 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZVCVGMRQGIMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-16-8-14(13-2-3-13)9-17(10-16)26-7-4-18-15(12-26)11-24-20(25-18)19-22-5-1-6-23-19/h1,5-6,8-11,13H,2-4,7,12H2.
What are the key properties of 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 347.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).