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

C17H24F3N5O4 — CID 118091346

IUPACN-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
SMILESCON(C)C(=O)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C17H24F3N5O4/c1-11-10-29-7-6-23(11)13-8-14(26)24-5-4-12(17(18,19)20)25(16(24)21-13)9-15(27)22(2)28-3/h8,11-12H,4-7,9-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyHMNXZRCASCASPA-NEPJUHHUSA-N
MW419.40 g/mol
LogP0.63
Rot. Bonds4

About 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

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 (PubChem CID 118091346) has the molecular formula C17H24F3N5O4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID118091346
Molecular FormulaC17H24F3N5O4
Molecular Weight419.40 g/mol
Exact Mass419.18
IUPAC NameN-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
SMILESCON(C)C(=O)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C17H24F3N5O4/c1-11-10-29-7-6-23(11)13-8-14(26)24-5-4-12(17(18,19)20)25(16(24)21-13)9-15(27)22(2)28-3/h8,11-12H,4-7,9-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyHMNXZRCASCASPA-NEPJUHHUSA-N
XLogP0.63
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CON(C)C(=O)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is HMNXZRCASCASPA-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H24F3N5O4/c1-11-10-29-7-6-23(11)13-8-14(26)24-5-4-12(17(18,19)20)25(16(24)21-13)9-15(27)22(2)28-3/h8,11-12H,4-7,9-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 419.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118091346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).