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

C18H26F4N4O2 — CID 118091371

IUPAC9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)C(F)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C18H26F4N4O2/c1-11(2)13(19)9-26-14(18(20,21)22)4-5-25-16(27)8-15(23-17(25)26)24-6-7-28-10-12(24)3/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyWAZIGRPTQZCROZ-IYXRBSQSSA-N
MW406.42 g/mol
LogP2.60
Rot. Bonds4

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

9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091371) has the molecular formula C18H26F4N4O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091371
Molecular FormulaC18H26F4N4O2
Molecular Weight406.42 g/mol
Exact Mass406.20
IUPAC Name9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)C(F)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C18H26F4N4O2/c1-11(2)13(19)9-26-14(18(20,21)22)4-5-25-16(27)8-15(23-17(25)26)24-6-7-28-10-12(24)3/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyWAZIGRPTQZCROZ-IYXRBSQSSA-N
XLogP2.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091371) is 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(C)C(F)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CCC1C(F)(F)F.
What is the InChIKey of 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is WAZIGRPTQZCROZ-IYXRBSQSSA-N. The full InChI is InChI=1S/C18H26F4N4O2/c1-11(2)13(19)9-26-14(18(20,21)22)4-5-25-16(27)8-15(23-17(25)26)24-6-7-28-10-12(24)3/h8,11-14H,4-7,9-10H2,1-3H3/t12-,13?,14?/m1/s1.
What are the key properties of 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 406.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).