tert-butyl N-amino-N-pyrimidin-5-ylcarbamate

C9H14N4O2 — CID 118992220

IUPACtert-butyl N-amino-N-pyrimidin-5-ylcarbamate
SMILESCC(C)(C)OC(=O)N(N)c1cncnc1
InChIInChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13(10)7-4-11-6-12-5-7/h4-6H,10H2,1-3H3
InChIKeyOTBIDCSYDNRWGO-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.09
Rot. Bonds1

About tert-butyl N-amino-N-pyrimidin-5-ylcarbamate

tert-butyl N-amino-N-pyrimidin-5-ylcarbamate (PubChem CID 118992220) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is tert-butyl N-amino-N-pyrimidin-5-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-pyrimidin-5-ylcarbamate
PubChem CID118992220
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nametert-butyl N-amino-N-pyrimidin-5-ylcarbamate
SMILESCC(C)(C)OC(=O)N(N)c1cncnc1
InChIInChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13(10)7-4-11-6-12-5-7/h4-6H,10H2,1-3H3
InChIKeyOTBIDCSYDNRWGO-UHFFFAOYSA-N
XLogP1.09
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
tert-butyl N-nitro-N-pyrimidin-5-ylcarbamate
CID 140615442
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
CID 154665114
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-amino-N-(3-methyl-2-pyridinyl)carbamate
CID 173130501
tert-butyl N-amino-N-(4-methyl-3-sulfanylphenyl)carbamate
CID 174627624
methyl 3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate
CID 101478873
tert-butyl N-amino-N-(4-bromo-1,3-thiazol-2-yl)carbamate
CID 174579693
tert-butyl N-[(2S)-2-aminopropanoyl]-N-pyrimidin-4-ylcarbamate
CID 18634377
tert-butyl N-amino-N-[4-(5-chlorothiophen-2-yl)phenyl]carbamate
CID 68776987
tert-butyl 2-pyrimidin-5-ylprop-2-enoate
CID 56974491
tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
CID 53338914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-pyrimidin-5-ylcarbamate?
The IUPAC name of tert-butyl N-amino-N-pyrimidin-5-ylcarbamate (CID 118992220) is tert-butyl N-amino-N-pyrimidin-5-ylcarbamate.
What is the SMILES notation for tert-butyl N-amino-N-pyrimidin-5-ylcarbamate?
The canonical SMILES for tert-butyl N-amino-N-pyrimidin-5-ylcarbamate is CC(C)(C)OC(=O)N(N)c1cncnc1.
What is the InChIKey of tert-butyl N-amino-N-pyrimidin-5-ylcarbamate?
The InChIKey is OTBIDCSYDNRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13(10)7-4-11-6-12-5-7/h4-6H,10H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-pyrimidin-5-ylcarbamate?
tert-butyl N-amino-N-pyrimidin-5-ylcarbamate has a molecular weight of 210.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-pyrimidin-5-ylcarbamate is sourced from PubChem (CID 118992220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).