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

C19H18FN5O — CID 122669797

IUPAC6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1c2cnc(-c3ncccn3)nc2CCN1c1cc(C)cc(F)c1
InChIInChI=1S/C19H18FN5O/c1-12-8-13(20)10-14(9-12)25-7-4-16-15(19(25)26-2)11-23-18(24-16)17-21-5-3-6-22-17/h3,5-6,8-11,19H,4,7H2,1-2H3
InChIKeyMKNJOIGEQGQWTD-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.09
Rot. Bonds3

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

6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669797) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669797
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1c2cnc(-c3ncccn3)nc2CCN1c1cc(C)cc(F)c1
InChIInChI=1S/C19H18FN5O/c1-12-8-13(20)10-14(9-12)25-7-4-16-15(19(25)26-2)11-23-18(24-16)17-21-5-3-6-22-17/h3,5-6,8-11,19H,4,7H2,1-2H3
InChIKeyMKNJOIGEQGQWTD-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669797) is 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1c2cnc(-c3ncccn3)nc2CCN1c1cc(C)cc(F)c1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MKNJOIGEQGQWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-12-8-13(20)10-14(9-12)25-7-4-16-15(19(25)26-2)11-23-18(24-16)17-21-5-3-6-22-17/h3,5-6,8-11,19H,4,7H2,1-2H3.
What are the key properties of 6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-fluoro-5-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 351.39 g/mol, XLogP of 3.09, 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-methylphenyl)-5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).