methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate

C13H17N3O2 — CID 13034514

IUPACmethyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2)CN1C
InChIInChI=1S/C13H17N3O2/c1-16-9-11(10-6-4-3-5-7-10)8-14-12(16)15-13(17)18-2/h3-7,11H,8-9H2,1-2H3,(H,14,15,17)
InChIKeyRTHFNCXNAZHSDB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds1

About methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate

methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate (PubChem CID 13034514) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate
PubChem CID13034514
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2)CN1C
InChIInChI=1S/C13H17N3O2/c1-16-9-11(10-6-4-3-5-7-10)8-14-12(16)15-13(17)18-2/h3-7,11H,8-9H2,1-2H3,(H,14,15,17)
InChIKeyRTHFNCXNAZHSDB-UHFFFAOYSA-N
XLogP1.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate
CID 23274511
tert-butyl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 154449142
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide
CID 122379511
(3S,5S)-3-amino-1-methyl-5-phenylpiperidin-2-one;tert-butyl N-(1-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate;tert-butyl N-[(3S,5S)-1-methyl-2-oxo-5-phenylpiperidin-3-yl]carbamate;ethane
CID 159065930
N-[(2S)-1-hydroxypropan-2-yl]-3-[[1-methyl-5-(4-methylphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]benzamide
CID 143432461
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
CID 134847031
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate (CID 13034514) is methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate is COC(=O)NC1=NCC(c2ccccc2)CN1C.
What is the InChIKey of methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate?
The InChIKey is RTHFNCXNAZHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-9-11(10-6-4-3-5-7-10)8-14-12(16)15-13(17)18-2/h3-7,11H,8-9H2,1-2H3,(H,14,15,17).
What are the key properties of methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate?
methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 13034514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).