tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate

C10H15N3O3 — CID 91620202

IUPACtert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-5-11-8(12-7(6)14)13-9(15)16-10(2,3)4/h5H,1-4H3,(H2,11,12,13,14,15)
InChIKeyPFWNRLZTAYOKII-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate

tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate (PubChem CID 91620202) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
PubChem CID91620202
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-5-11-8(12-7(6)14)13-9(15)16-10(2,3)4/h5H,1-4H3,(H2,11,12,13,14,15)
InChIKeyPFWNRLZTAYOKII-UHFFFAOYSA-N
XLogP1.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(5-bromo-2-oxo-1H-pyrimidin-6-yl)carbamate
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tert-butyl N-(5-cyano-6-oxo-1H-pyridazin-3-yl)carbamate
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methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
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tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
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tert-butyl N-[2-(2,4-dibromo-5-methyl-3-pyridinyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate (CID 91620202) is tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate is Cc1cnc(NC(=O)OC(C)(C)C)[nH]c1=O.
What is the InChIKey of tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate?
The InChIKey is PFWNRLZTAYOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-5-11-8(12-7(6)14)13-9(15)16-10(2,3)4/h5H,1-4H3,(H2,11,12,13,14,15).
What are the key properties of tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate?
tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate has a molecular weight of 225.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 91620202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).