(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide

C19H20N4O2 — CID 10042637

IUPAC(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESC#CN1C=C(C(=O)NCCC)C2=N[C@H](Cc3ccccc3)CN2C1=O
InChIInChI=1S/C19H20N4O2/c1-3-10-20-18(24)16-13-22(4-2)19(25)23-12-15(21-17(16)23)11-14-8-6-5-7-9-14/h2,5-9,13,15H,3,10-12H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyFKBFTKLEWCLXKV-OAHLLOKOSA-N
MW336.40 g/mol
LogP1.75
Rot. Bonds5

About (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide

(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 10042637) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID10042637
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESC#CN1C=C(C(=O)NCCC)C2=N[C@H](Cc3ccccc3)CN2C1=O
InChIInChI=1S/C19H20N4O2/c1-3-10-20-18(24)16-13-22(4-2)19(25)23-12-15(21-17(16)23)11-14-8-6-5-7-9-14/h2,5-9,13,15H,3,10-12H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyFKBFTKLEWCLXKV-OAHLLOKOSA-N
XLogP1.75
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-benzyl-6-(furan-2-ylmethyl)-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide
CID 10408202
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CID 63261225
(4-benzyl-2-phenyl-4,5-dihydroimidazol-1-yl)-phenylmethanone
CID 11198598
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 96569500
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
(3aS,6aR)-4,6-dioxo-5-(2-phenylethyl)-N-propyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 91916022
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide (CID 10042637) is (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide is C#CN1C=C(C(=O)NCCC)C2=N[C@H](Cc3ccccc3)CN2C1=O.
What is the InChIKey of (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is FKBFTKLEWCLXKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-10-20-18(24)16-13-22(4-2)19(25)23-12-15(21-17(16)23)11-14-8-6-5-7-9-14/h2,5-9,13,15H,3,10-12H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide?
(2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-6-ethynyl-5-oxo-N-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 10042637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).