benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate

C14H15N3O4 — CID 70699902

IUPACbenzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
SMILESCn1cc(NC(=O)OCc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-8-11(12(18)17(2)14(16)20)15-13(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,19)
InChIKeyYVIIFANSLALIDM-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.83
Rot. Bonds3

About benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate

benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate (PubChem CID 70699902) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
PubChem CID70699902
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namebenzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
SMILESCn1cc(NC(=O)OCc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-8-11(12(18)17(2)14(16)20)15-13(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,19)
InChIKeyYVIIFANSLALIDM-UHFFFAOYSA-N
XLogP0.83
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate
CID 117074356
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 118155175
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 174378849
benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539
2-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-indolizin-1-ylcarbamate
CID 23187496
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate?
The IUPAC name of benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate (CID 70699902) is benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate.
What is the SMILES notation for benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate?
The canonical SMILES for benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate is Cn1cc(NC(=O)OCc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate?
The InChIKey is YVIIFANSLALIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-8-11(12(18)17(2)14(16)20)15-13(19)21-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,19).
What are the key properties of benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate?
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate has a molecular weight of 289.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate is sourced from PubChem (CID 70699902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).