tert-butyl N-(4-aminopyrimidin-5-yl)carbamate

C9H14N4O2 — CID 45092116

IUPACtert-butyl N-(4-aminopyrimidin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncnc1N
InChIInChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13-6-4-11-5-12-7(6)10/h4-5H,1-3H3,(H,13,14)(H2,10,11,12)
InChIKeyWUYJYGTYWGTOPR-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl N-(4-aminopyrimidin-5-yl)carbamate

tert-butyl N-(4-aminopyrimidin-5-yl)carbamate (PubChem CID 45092116) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is tert-butyl N-(4-aminopyrimidin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminopyrimidin-5-yl)carbamate
PubChem CID45092116
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nametert-butyl N-(4-aminopyrimidin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncnc1N
InChIInChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13-6-4-11-5-12-7(6)10/h4-5H,1-3H3,(H,13,14)(H2,10,11,12)
InChIKeyWUYJYGTYWGTOPR-UHFFFAOYSA-N
XLogP1.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(4-aminopyrimidin-5-yl)amino]-3-oxopropyl]carbamate
CID 70812164
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
(Z)-3-(4-aminopyrimidin-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 146485225
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
CID 141329462
tert-butyl N-(4-methyl-2-pyrimidin-5-ylpyrimidin-5-yl)carbamate;4-methyl-2-pyrimidin-5-ylpyrimidin-5-amine
CID 157145685
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminopyrimidin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-aminopyrimidin-5-yl)carbamate (CID 45092116) is tert-butyl N-(4-aminopyrimidin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminopyrimidin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminopyrimidin-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cncnc1N.
What is the InChIKey of tert-butyl N-(4-aminopyrimidin-5-yl)carbamate?
The InChIKey is WUYJYGTYWGTOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)13-6-4-11-5-12-7(6)10/h4-5H,1-3H3,(H,13,14)(H2,10,11,12).
What are the key properties of tert-butyl N-(4-aminopyrimidin-5-yl)carbamate?
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate has a molecular weight of 210.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminopyrimidin-5-yl)carbamate is sourced from PubChem (CID 45092116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).