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

C19H18FN5O — CID 122669791

IUPAC6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2C)c1
InChIInChI=1S/C19H18FN5O/c1-12-16-11-23-19(18-21-5-3-6-22-18)24-17(16)4-7-25(12)14-8-13(20)9-15(10-14)26-2/h3,5-6,8-12H,4,7H2,1-2H3
InChIKeyHZDMWFKXDYNASC-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.20
Rot. Bonds3

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

6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669791) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669791
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2C)c1
InChIInChI=1S/C19H18FN5O/c1-12-16-11-23-19(18-21-5-3-6-22-18)24-17(16)4-7-25(12)14-8-13(20)9-15(10-14)26-2/h3,5-6,8-12H,4,7H2,1-2H3
InChIKeyHZDMWFKXDYNASC-UHFFFAOYSA-N
XLogP3.20
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669791) is 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)cc(N2CCc3nc(-c4ncccn4)ncc3C2C)c1.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HZDMWFKXDYNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-12-16-11-23-19(18-21-5-3-6-22-18)24-17(16)4-7-25(12)14-8-13(20)9-15(10-14)26-2/h3,5-6,8-12H,4,7H2,1-2H3.
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 351.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).