benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate

C14H17N5O4 — CID 10781875

IUPACbenzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C14H17N5O4/c1-19(14(22)23-8-9-5-3-2-4-6-9)10-7-16-13(17-11(10)20)18-12(15)21/h2-6,10H,7-8H2,1H3,(H4,15,16,17,18,20,21)
InChIKeyWSPHZKNAMGKBQV-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.22
Rot. Bonds3

About benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate

benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate (PubChem CID 10781875) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate
PubChem CID10781875
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Namebenzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C14H17N5O4/c1-19(14(22)23-8-9-5-3-2-4-6-9)10-7-16-13(17-11(10)20)18-12(15)21/h2-6,10H,7-8H2,1H3,(H4,15,16,17,18,20,21)
InChIKeyWSPHZKNAMGKBQV-UHFFFAOYSA-N
XLogP-0.22
TPSA126.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90426419
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CID 144529181
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
CID 59056687
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
methyl (1R,2R,3S,4S)-3-[methyl(phenylmethoxycarbonyl)amino]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 170360633
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate (CID 10781875) is benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate?
The InChIKey is WSPHZKNAMGKBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-19(14(22)23-8-9-5-3-2-4-6-9)10-7-16-13(17-11(10)20)18-12(15)21/h2-6,10H,7-8H2,1H3,(H4,15,16,17,18,20,21).
What are the key properties of benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate?
benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate has a molecular weight of 319.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate is sourced from PubChem (CID 10781875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).