methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate

C12H18N4O4 — CID 136867852

IUPACmethyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O4/c1-7-6-10(17)16-9(14-7)4-5-13-11(18)8(2)15-12(19)20-3/h6,8H,4-5H2,1-3H3,(H,13,18)(H,15,19)(H,14,16,17)/t8-/m1/s1
InChIKeyFUNWVHAUAVGHOL-MRVPVSSYSA-N
MW282.30 g/mol
LogP-0.52
Rot. Bonds5

About methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate

methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 136867852) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
PubChem CID136867852
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Namemethyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O4/c1-7-6-10(17)16-9(14-7)4-5-13-11(18)8(2)15-12(19)20-3/h6,8H,4-5H2,1-3H3,(H,13,18)(H,15,19)(H,14,16,17)/t8-/m1/s1
InChIKeyFUNWVHAUAVGHOL-MRVPVSSYSA-N
XLogP-0.52
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
2-acetamido-2-methyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137025351
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]spiro[2.5]octane-2-carboxamide
CID 136993210
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 137108586
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
(3S)-8-methoxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136861463
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide;hydrochloride
CID 154902362

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate (CID 136867852) is methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate is COC(=O)N[C@H](C)C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is FUNWVHAUAVGHOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7-6-10(17)16-9(14-7)4-5-13-11(18)8(2)15-12(19)20-3/h6,8H,4-5H2,1-3H3,(H,13,18)(H,15,19)(H,14,16,17)/t8-/m1/s1.
What are the key properties of methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 282.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 136867852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).