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

C18H15F2N5O — CID 121455932

IUPAC6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C18H15F2N5O/c1-26-15-8-12(7-13(19)16(15)20)25-6-3-14-11(10-25)9-23-18(24-14)17-21-4-2-5-22-17/h2,4-5,7-9H,3,6,10H2,1H3
InChIKeyQAFSRZPHOWNHHO-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.78
Rot. Bonds3

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

6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455932) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455932
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C18H15F2N5O/c1-26-15-8-12(7-13(19)16(15)20)25-6-3-14-11(10-25)9-23-18(24-14)17-21-4-2-5-22-17/h2,4-5,7-9H,3,6,10H2,1H3
InChIKeyQAFSRZPHOWNHHO-UHFFFAOYSA-N
XLogP2.78
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455932) is 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QAFSRZPHOWNHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-26-15-8-12(7-13(19)16(15)20)25-6-3-14-11(10-25)9-23-18(24-14)17-21-4-2-5-22-17/h2,4-5,7-9H,3,6,10H2,1H3.
What are the key properties of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 355.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).