tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate

C10H16N4O2 — CID 86086992

IUPACtert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
SMILESCNc1cc(NC(=O)OC(C)(C)C)ncn1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-8-5-7(11-4)12-6-13-8/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyWRBISBROYQCXJG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate

tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate (PubChem CID 86086992) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
PubChem CID86086992
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
SMILESCNc1cc(NC(=O)OC(C)(C)C)ncn1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-8-5-7(11-4)12-6-13-8/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyWRBISBROYQCXJG-UHFFFAOYSA-N
XLogP1.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate (CID 86086992) is tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate is CNc1cc(NC(=O)OC(C)(C)C)ncn1.
What is the InChIKey of tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate?
The InChIKey is WRBISBROYQCXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-8-5-7(11-4)12-6-13-8/h5-6H,1-4H3,(H2,11,12,13,14,15).
What are the key properties of tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate?
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 86086992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).