4-[(2-aminoquinazolin-4-yl)amino]butanamide

C12H15N5O — CID 80790515

IUPAC4-[(2-aminoquinazolin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N5O/c13-10(18)6-3-7-15-11-8-4-1-2-5-9(8)16-12(14)17-11/h1-2,4-5H,3,6-7H2,(H2,13,18)(H3,14,15,16,17)
InChIKeyLZZXEEMECLBUHC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.89
Rot. Bonds5

About 4-[(2-aminoquinazolin-4-yl)amino]butanamide

4-[(2-aminoquinazolin-4-yl)amino]butanamide (PubChem CID 80790515) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(2-aminoquinazolin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(2-aminoquinazolin-4-yl)amino]butanamide
PubChem CID80790515
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(2-aminoquinazolin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N5O/c13-10(18)6-3-7-15-11-8-4-1-2-5-9(8)16-12(14)17-11/h1-2,4-5H,3,6-7H2,(H2,13,18)(H3,14,15,16,17)
InChIKeyLZZXEEMECLBUHC-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'}

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Related Compounds

4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
3-[2-[(2-aminoquinazolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311755
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523
4-anilinobutanamide
CID 67066705
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
4-[(4-chlorophthalazin-1-yl)amino]butanamide
CID 62141912
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoquinazolin-4-yl)amino]butanamide?
The IUPAC name of 4-[(2-aminoquinazolin-4-yl)amino]butanamide (CID 80790515) is 4-[(2-aminoquinazolin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(2-aminoquinazolin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(2-aminoquinazolin-4-yl)amino]butanamide is NC(=O)CCCNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-[(2-aminoquinazolin-4-yl)amino]butanamide?
The InChIKey is LZZXEEMECLBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-10(18)6-3-7-15-11-8-4-1-2-5-9(8)16-12(14)17-11/h1-2,4-5H,3,6-7H2,(H2,13,18)(H3,14,15,16,17).
What are the key properties of 4-[(2-aminoquinazolin-4-yl)amino]butanamide?
4-[(2-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-[(2-aminoquinazolin-4-yl)amino]butanamide is sourced from PubChem (CID 80790515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).