2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C20H28F3N5O3 — CID 123406552

IUPAC2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CCNCC1)C(C(F)(F)F)CC2
InChIInChI=1S/C20H28F3N5O3/c1-13-12-31-9-8-26(13)17-10-18(30)27-7-4-16(20(21,22)23)28(19(27)25-17)11-15(29)14-2-5-24-6-3-14/h10,13-14,16,24H,2-9,11-12H2,1H3
InChIKeySZSXMQPBIPFATQ-UHFFFAOYSA-N
MW443.47 g/mol
LogP1.18
Rot. Bonds4

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

2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 123406552) has the molecular formula C20H28F3N5O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID123406552
Molecular FormulaC20H28F3N5O3
Molecular Weight443.47 g/mol
Exact Mass443.21
IUPAC Name2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CCNCC1)C(C(F)(F)F)CC2
InChIInChI=1S/C20H28F3N5O3/c1-13-12-31-9-8-26(13)17-10-18(30)27-7-4-16(20(21,22)23)28(19(27)25-17)11-15(29)14-2-5-24-6-3-14/h10,13-14,16,24H,2-9,11-12H2,1H3
InChIKeySZSXMQPBIPFATQ-UHFFFAOYSA-N
XLogP1.18
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(8S)-9-(2-cyclopropyl-2-oxoethyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;4H-pyrimidin-5-one
CID 158116321
tert-butyl 2-[(8S)-2-(3-methylmorpholin-4-yl)-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
CID 118104510
N-methoxy-N-methyl-2-[(8S)-2-[(3R)-3-methylmorpholin-4-yl]-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetamide
CID 118091346
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091485
9-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091449
9-[2-(3-fluoro-2-pyridinyl)-2-oxoethyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091657
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
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(oxan-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104570
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091396
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709433
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091705
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091506

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 123406552) is 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1cc(=O)n2c(n1)N(CC(=O)C1CCNCC1)C(C(F)(F)F)CC2.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is SZSXMQPBIPFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5O3/c1-13-12-31-9-8-26(13)17-10-18(30)27-7-4-16(20(21,22)23)28(19(27)25-17)11-15(29)14-2-5-24-6-3-14/h10,13-14,16,24H,2-9,11-12H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 443.47 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-9-(2-oxo-2-piperidin-4-ylethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123406552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).