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

C19H15F4N5O — CID 122669949

IUPAC6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OC(F)F)c1
InChIInChI=1S/C19H15F4N5O/c1-10-12-9-26-18(17-24-4-2-5-25-17)27-14(12)3-6-28(10)11-7-13(20)16(21)15(8-11)29-19(22)23/h2,4-5,7-10,19H,3,6H2,1H3
InChIKeyHFOWOHWZBQZEEL-UHFFFAOYSA-N
MW405.36 g/mol
LogP3.94
Rot. Bonds4

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

6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669949) has the molecular formula C19H15F4N5O and a molecular weight of 405.36 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669949
Molecular FormulaC19H15F4N5O
Molecular Weight405.36 g/mol
Exact Mass405.12
IUPAC Name6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OC(F)F)c1
InChIInChI=1S/C19H15F4N5O/c1-10-12-9-26-18(17-24-4-2-5-25-17)27-14(12)3-6-28(10)11-7-13(20)16(21)15(8-11)29-19(22)23/h2,4-5,7-10,19H,3,6H2,1H3
InChIKeyHFOWOHWZBQZEEL-UHFFFAOYSA-N
XLogP3.94
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669949) is 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OC(F)F)c1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HFOWOHWZBQZEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O/c1-10-12-9-26-18(17-24-4-2-5-25-17)27-14(12)3-6-28(10)11-7-13(20)16(21)15(8-11)29-19(22)23/h2,4-5,7-10,19H,3,6H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 405.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).