4-[(6-aminoquinazolin-4-yl)amino]butanamide

C12H15N5O — CID 64589483

IUPAC4-[(6-aminoquinazolin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N5O/c13-8-3-4-10-9(6-8)12(17-7-16-10)15-5-1-2-11(14)18/h3-4,6-7H,1-2,5,13H2,(H2,14,18)(H,15,16,17)
InChIKeySULPNIXNZASERR-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.89
Rot. Bonds5

About 4-[(6-aminoquinazolin-4-yl)amino]butanamide

4-[(6-aminoquinazolin-4-yl)amino]butanamide (PubChem CID 64589483) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(6-aminoquinazolin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-aminoquinazolin-4-yl)amino]butanamide
PubChem CID64589483
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(6-aminoquinazolin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N5O/c13-8-3-4-10-9(6-8)12(17-7-16-10)15-5-1-2-11(14)18/h3-4,6-7H,1-2,5,13H2,(H2,14,18)(H,15,16,17)
InChIKeySULPNIXNZASERR-UHFFFAOYSA-N
XLogP0.89
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
CID 64590087
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981921
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871
4-[(6-trimethylstannylquinazolin-4-yl)amino]butylcarbamic acid
CID 90333701

Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminoquinazolin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-aminoquinazolin-4-yl)amino]butanamide (CID 64589483) is 4-[(6-aminoquinazolin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-aminoquinazolin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-aminoquinazolin-4-yl)amino]butanamide is NC(=O)CCCNc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-[(6-aminoquinazolin-4-yl)amino]butanamide?
The InChIKey is SULPNIXNZASERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-8-3-4-10-9(6-8)12(17-7-16-10)15-5-1-2-11(14)18/h3-4,6-7H,1-2,5,13H2,(H2,14,18)(H,15,16,17).
What are the key properties of 4-[(6-aminoquinazolin-4-yl)amino]butanamide?
4-[(6-aminoquinazolin-4-yl)amino]butanamide has a molecular weight of 245.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminoquinazolin-4-yl)amino]butanamide is sourced from PubChem (CID 64589483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).