tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate

C13H20N4O2 — CID 59437352

IUPACtert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(N)ncc2C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)16-9-4-5-10-8(6-9)7-15-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,16,18)(H2,14,15,17)
InChIKeyADZQBEXWLVQODS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.44
Rot. Bonds1

About tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate

tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate (PubChem CID 59437352) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate
PubChem CID59437352
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(N)ncc2C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)16-9-4-5-10-8(6-9)7-15-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,16,18)(H2,14,15,17)
InChIKeyADZQBEXWLVQODS-UHFFFAOYSA-N
XLogP1.44
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 16228810
tert-butyl 2-amino-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 29184118
tert-butyl 2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 49758029
5,6,7,8-Tetrahydro-6-quinazolinamine
CID 55254411
tert-butyl 2-amino-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 75487617
tert-butyl 2-bromo-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 124253309
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
tert-butyl 2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106172
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]propanamide
CID 45227832
2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62008674
tert-Butyl ((4-(2-fluoropropan-2-yl)pyrimidin-5-yl)methyl)carbamate
CID 123133695
tert-butyl N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethyl]cyclohexyl]carbamate
CID 138670363

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate (CID 59437352) is tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2nc(N)ncc2C1.
What is the InChIKey of tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate?
The InChIKey is ADZQBEXWLVQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)16-9-4-5-10-8(6-9)7-15-11(14)17-10/h7,9H,4-6H2,1-3H3,(H,16,18)(H2,14,15,17).
What are the key properties of tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate?
tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate has a molecular weight of 264.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)carbamate is sourced from PubChem (CID 59437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).