8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C15H15F2N3O2 — CID 71236599

IUPAC8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(OCc1cccc(F)c1F)nc2=O
InChIInChI=1S/C15H15F2N3O2/c1-19-6-3-7-20-13(19)8-12(18-15(20)21)22-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyQRCKSRFWCZPGPN-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.94
Rot. Bonds3

About 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 71236599) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID71236599
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(OCc1cccc(F)c1F)nc2=O
InChIInChI=1S/C15H15F2N3O2/c1-19-6-3-7-20-13(19)8-12(18-15(20)21)22-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyQRCKSRFWCZPGPN-UHFFFAOYSA-N
XLogP1.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 71236599) is 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is CN1CCCn2c1cc(OCc1cccc(F)c1F)nc2=O.
What is the InChIKey of 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is QRCKSRFWCZPGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-19-6-3-7-20-13(19)8-12(18-15(20)21)22-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 307.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 71236599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).