(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C19H19F6N5O2 — CID 118091781

About (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091781) has the molecular formula C19H19F6N5O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 118091781
• Molecular Formula: C19H19F6N5O2
• Molecular Weight: 463.38 g/mol
• Exact Mass: 463.14
• IUPAC Name: (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• SMILES: C[C@@H]1COCCN1c1nc2n(c(=O)c1F)[C@@H](C(F)(F)F)CCN2c1ccc(C(F)F)nc1
• InChI: InChI=1S/C19H19F6N5O2/c1-10-9-32-7-6-28(10)16-14(20)17(31)30-13(19(23,24)25)4-5-29(18(30)27-16)11-2-3-12(15(21)22)26-8-11/h2-3,8,10,13,15H,4-7,9H2,1H3/t10-,13-/m1/s1
• InChIKey: UXBNTCNUBJMRNS-ZWNOBZJWSA-N
• XLogP: 3.59
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.38
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The IUPAC name of (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091781) is (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The canonical SMILES for (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1c1nc2n(c(=O)c1F)[C@@H](C(F)(F)F)CCN2c1ccc(C(F)F)nc1.

What is the InChIKey of (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The InChIKey is UXBNTCNUBJMRNS-ZWNOBZJWSA-N. The full InChI is InChI=1S/C19H19F6N5O2/c1-10-9-32-7-6-28(10)16-14(20)17(31)30-13(19(23,24)25)4-5-29(18(30)27-16)11-2-3-12(15(21)22)26-8-11/h2-3,8,10,13,15H,4-7,9H2,1H3/t10-,13-/m1/s1.

What are the key properties of (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 463.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).