tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate

C16H23N5O2 — CID 104932831

IUPACtert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)19-8-4-7-18-14-12-6-5-11(17)9-13(12)20-10-21-14/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyFJFRRESTKOMNJC-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate

tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate (PubChem CID 104932831) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
PubChem CID104932831
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)19-8-4-7-18-14-12-6-5-11(17)9-13(12)20-10-21-14/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyFJFRRESTKOMNJC-UHFFFAOYSA-N
XLogP2.54
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840
tert-butyl N-[4-[(7-amino-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 142746123
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483
tert-butyl N-[3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propyl]carbamate
CID 103880078
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate (CID 104932831) is tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1ncnc2cc(N)ccc12.
What is the InChIKey of tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate?
The InChIKey is FJFRRESTKOMNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)19-8-4-7-18-14-12-6-5-11(17)9-13(12)20-10-21-14/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 104932831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).