methyl N-(2-ethylpyrimidin-5-yl)carbamate

C8H11N3O2 — CID 126992347

IUPACmethyl N-(2-ethylpyrimidin-5-yl)carbamate
SMILESCCc1ncc(NC(=O)OC)cn1
InChIInChI=1S/C8H11N3O2/c1-3-7-9-4-6(5-10-7)11-8(12)13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyRSTHMRXCRYPSKP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.22
Rot. Bonds2

About methyl N-(2-ethylpyrimidin-5-yl)carbamate

methyl N-(2-ethylpyrimidin-5-yl)carbamate (PubChem CID 126992347) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl N-(2-ethylpyrimidin-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-ethylpyrimidin-5-yl)carbamate
PubChem CID126992347
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl N-(2-ethylpyrimidin-5-yl)carbamate
SMILESCCc1ncc(NC(=O)OC)cn1
InChIInChI=1S/C8H11N3O2/c1-3-7-9-4-6(5-10-7)11-8(12)13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyRSTHMRXCRYPSKP-UHFFFAOYSA-N
XLogP1.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250
3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
CID 120873359
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
methyl N-(3,5-diethylphenyl)carbamate
CID 13150461
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide
CID 138004550
N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
CID 166414548
methyl N-quinolin-3-ylcarbamate
CID 19697860
methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
CID 71064947
N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide
CID 75394824

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethylpyrimidin-5-yl)carbamate?
The IUPAC name of methyl N-(2-ethylpyrimidin-5-yl)carbamate (CID 126992347) is methyl N-(2-ethylpyrimidin-5-yl)carbamate.
What is the SMILES notation for methyl N-(2-ethylpyrimidin-5-yl)carbamate?
The canonical SMILES for methyl N-(2-ethylpyrimidin-5-yl)carbamate is CCc1ncc(NC(=O)OC)cn1.
What is the InChIKey of methyl N-(2-ethylpyrimidin-5-yl)carbamate?
The InChIKey is RSTHMRXCRYPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-7-9-4-6(5-10-7)11-8(12)13-2/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of methyl N-(2-ethylpyrimidin-5-yl)carbamate?
methyl N-(2-ethylpyrimidin-5-yl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethylpyrimidin-5-yl)carbamate is sourced from PubChem (CID 126992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).