tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate

C10H18N4O3 — CID 143378144

IUPACtert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
SMILESCN1C(=O)CC(N)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)13-8-12-6(11)5-7(15)14(8)4/h6H,5,11H2,1-4H3,(H,12,13,16)
InChIKeyVBYTWTDVPOSTHA-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.01
Rot. Bonds

About tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate

tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate (PubChem CID 143378144) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
PubChem CID143378144
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nametert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
SMILESCN1C(=O)CC(N)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)13-8-12-6(11)5-7(15)14(8)4/h6H,5,11H2,1-4H3,(H,12,13,16)
InChIKeyVBYTWTDVPOSTHA-UHFFFAOYSA-N
XLogP0.01
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 10512203
tert-butyl N-(3-aminopropyl)-N-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 87528498
tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
CID 123712642
tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate
CID 130357183
tert-butyl N-[(4S)-1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl]carbamate
CID 163649750
tert-butyl N-(N-acetyl-N'-ethyl-N-methylcarbamimidoyl)carbamate
CID 169920108
tert-butyl N-[[3-(methylcarbamoyl)azetidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 174083801
tert-butyl N-[N-[(1R)-1-aminopropyl]-N'-ethyl-N-methylcarbamimidoyl]-N-ethylcarbamate
CID 174093721
tert-butyl N-ethyl-N-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]carbamate;hydroiodide
CID 53561260
tert-butyl N-ethyl-N-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]carbamate
CID 53561261
tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 54278757
tert-butyl N-[1-[[N-[3-(dimethylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 109551129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate (CID 143378144) is tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate is CN1C(=O)CC(N)N=C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The InChIKey is VBYTWTDVPOSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)13-8-12-6(11)5-7(15)14(8)4/h6H,5,11H2,1-4H3,(H,12,13,16).
What are the key properties of tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate has a molecular weight of 242.28 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 143378144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).