8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C16H17F2N3O2 — CID 90304062

IUPAC8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILES[2H]C([2H])(Oc1cc2n(c(=O)n1)CCC(C)N2C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-10-3-4-21-15(20(10)2)8-14(19-16(21)22)23-9-11-5-12(17)7-13(18)6-11/h5-8,10H,3-4,9H2,1-2H3/i9D2
InChIKeyDKTXMVJMUCMLCC-KNXIQCGSSA-N
MW323.34 g/mol
LogP2.33
Rot. Bonds3

About 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 90304062) has the molecular formula C16H17F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID90304062
Molecular FormulaC16H17F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILES[2H]C([2H])(Oc1cc2n(c(=O)n1)CCC(C)N2C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-10-3-4-21-15(20(10)2)8-14(19-16(21)22)23-9-11-5-12(17)7-13(18)6-11/h5-8,10H,3-4,9H2,1-2H3/i9D2
InChIKeyDKTXMVJMUCMLCC-KNXIQCGSSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 90304062) is 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is [2H]C([2H])(Oc1cc2n(c(=O)n1)CCC(C)N2C)c1cc(F)cc(F)c1.
What is the InChIKey of 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is DKTXMVJMUCMLCC-KNXIQCGSSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-3-4-21-15(20(10)2)8-14(19-16(21)22)23-9-11-5-12(17)7-13(18)6-11/h5-8,10H,3-4,9H2,1-2H3/i9D2.
What are the key properties of 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 323.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[dideuterio-(3,5-difluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 90304062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).