tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate

C10H17N3O3 — CID 130357183

IUPACtert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate
SMILESC[C@@H]1CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C10H17N3O3/c1-6-5-7(14)12-8(11-6)13-9(15)16-10(2,3)4/h6H,5H2,1-4H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyBQUZMOYIDYZSEL-ZCFIWIBFSA-N
MW227.26 g/mol
LogP0.78
Rot. Bonds

About tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate

tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate (PubChem CID 130357183) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate
PubChem CID130357183
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate
SMILESC[C@@H]1CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C10H17N3O3/c1-6-5-7(14)12-8(11-6)13-9(15)16-10(2,3)4/h6H,5H2,1-4H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyBQUZMOYIDYZSEL-ZCFIWIBFSA-N
XLogP0.78
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate (CID 130357183) is tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate is C[C@@H]1CC(=O)NC(NC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate?
The InChIKey is BQUZMOYIDYZSEL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6-5-7(14)12-8(11-6)13-9(15)16-10(2,3)4/h6H,5H2,1-4H3,(H2,11,12,13,14,15)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate?
tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]carbamate is sourced from PubChem (CID 130357183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).