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

C19H18FN5O — CID 24929587

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

6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929587) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24929587
• Molecular Formula: C19H18FN5O
• Molecular Weight: 351.39 g/mol
• Exact Mass: 351.15
• IUPAC Name: 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1cccc(F)c1CN1CCc2nc(-c3cncnc3)ncc2C1
• InChI: InChI=1S/C19H18FN5O/c1-26-18-4-2-3-16(20)15(18)11-25-6-5-17-14(10-25)9-23-19(24-17)13-7-21-12-22-8-13/h2-4,7-9,12H,5-6,10-11H2,1H3
• InChIKey: ZVWMIRIHMDZRCH-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 64.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.39
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929587) is 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cccc(F)c1CN1CCc2nc(-c3cncnc3)ncc2C1.

What is the InChIKey of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is ZVWMIRIHMDZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-26-18-4-2-3-16(20)15(18)11-25-6-5-17-14(10-25)9-23-19(24-17)13-7-21-12-22-8-13/h2-4,7-9,12H,5-6,10-11H2,1H3.

What are the key properties of 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 351.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).