tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate

C10H16N4O2 — CID 107236805

IUPACtert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCc1ccncn1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-13-6-8-4-5-11-7-12-8/h4-5,7,13H,6H2,1-3H3,(H,14,15)
InChIKeyPGMKUJPSOBNDGK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.01
Rot. Bonds3

About tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate

tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate (PubChem CID 107236805) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
PubChem CID107236805
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nametert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCc1ccncn1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-13-6-8-4-5-11-7-12-8/h4-5,7,13H,6H2,1-3H3,(H,14,15)
InChIKeyPGMKUJPSOBNDGK-UHFFFAOYSA-N
XLogP1.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-fluoro-2-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240729
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
CID 107252088
tert-butyl N-[4-fluoro-3-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240915
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
CID 107254453
tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107254388
tert-butyl N-[(4-iodophenyl)methylamino]carbamate
CID 130517937
tert-butyl 3-propyl-3-[(pyrimidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 114280757
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate?
The IUPAC name of tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate (CID 107236805) is tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate.
What is the SMILES notation for tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate?
The canonical SMILES for tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate is CC(C)(C)OC(=O)NNCc1ccncn1.
What is the InChIKey of tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate?
The InChIKey is PGMKUJPSOBNDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-13-6-8-4-5-11-7-12-8/h4-5,7,13H,6H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate?
tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate is sourced from PubChem (CID 107236805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).