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

C15H16F2N4O — CID 71236554

IUPAC8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(NCc1cccc(F)c1F)nc2=O
InChIInChI=1S/C15H16F2N4O/c1-20-6-3-7-21-13(20)8-12(19-15(21)22)18-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,18,19,22)
InChIKeyDIXCHXBVMISUAX-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.97
Rot. Bonds3

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

8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 71236554) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID71236554
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(NCc1cccc(F)c1F)nc2=O
InChIInChI=1S/C15H16F2N4O/c1-20-6-3-7-21-13(20)8-12(19-15(21)22)18-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,18,19,22)
InChIKeyDIXCHXBVMISUAX-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 71236554) is 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is CN1CCCn2c1cc(NCc1cccc(F)c1F)nc2=O.
What is the InChIKey of 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is DIXCHXBVMISUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-20-6-3-7-21-13(20)8-12(19-15(21)22)18-9-10-4-2-5-11(16)14(10)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,18,19,22).
What are the key properties of 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 306.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methylamino]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 71236554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).