5-methyl-N-pentylquinazolin-4-amine

C14H19N3 — CID 25175828

IUPAC5-methyl-N-pentylquinazolin-4-amine
SMILESCCCCCNc1ncnc2cccc(C)c12
InChIInChI=1S/C14H19N3/c1-3-4-5-9-15-14-13-11(2)7-6-8-12(13)16-10-17-14/h6-8,10H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyQVJTWWDRPLKVFZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.54
Rot. Bonds5

About 5-methyl-N-pentylquinazolin-4-amine

5-methyl-N-pentylquinazolin-4-amine (PubChem CID 25175828) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-N-pentylquinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-pentylquinazolin-4-amine
PubChem CID25175828
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-methyl-N-pentylquinazolin-4-amine
SMILESCCCCCNc1ncnc2cccc(C)c12
InChIInChI=1S/C14H19N3/c1-3-4-5-9-15-14-13-11(2)7-6-8-12(13)16-10-17-14/h6-8,10H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyQVJTWWDRPLKVFZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349192
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
CID 86778576
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
6-methyl-5-[(4-methylphenyl)methyl]-N-octylpyrimidin-4-amine
CID 143373114
4-[4-(dimethylamino)butylamino]quinazoline-5-carboxylic acid;hydrochloride
CID 20982537
2-methoxy-N-(5-methylquinazolin-4-yl)propane-1-sulfonamide
CID 154769119
5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133422616
ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416
4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
CID 19142423
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentylquinazolin-4-amine?
The IUPAC name of 5-methyl-N-pentylquinazolin-4-amine (CID 25175828) is 5-methyl-N-pentylquinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-pentylquinazolin-4-amine?
The canonical SMILES for 5-methyl-N-pentylquinazolin-4-amine is CCCCCNc1ncnc2cccc(C)c12.
What is the InChIKey of 5-methyl-N-pentylquinazolin-4-amine?
The InChIKey is QVJTWWDRPLKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-5-9-15-14-13-11(2)7-6-8-12(13)16-10-17-14/h6-8,10H,3-5,9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-methyl-N-pentylquinazolin-4-amine?
5-methyl-N-pentylquinazolin-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentylquinazolin-4-amine is sourced from PubChem (CID 25175828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).