2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine

C17H26N4 — CID 80782825

IUPAC2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
SMILESCCCCCCC(C)Nc1nc(NC)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-5-6-7-10-13(2)19-16-14-11-8-9-12-15(14)20-17(18-3)21-16/h8-9,11-13H,4-7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyIFQZDBCCRYTPDM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.44
Rot. Bonds8

About 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine

2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine (PubChem CID 80782825) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
PubChem CID80782825
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
SMILESCCCCCCC(C)Nc1nc(NC)nc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-5-6-7-10-13(2)19-16-14-11-8-9-12-15(14)20-17(18-3)21-16/h8-9,11-13H,4-7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyIFQZDBCCRYTPDM-UHFFFAOYSA-N
XLogP4.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-undecan-2-ylquinazolin-4-amine
CID 86111387
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80786241
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
N-heptan-2-ylquinazolin-4-amine
CID 54950682
4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
CID 107819014
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80841877
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine (CID 80782825) is 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine is CCCCCCC(C)Nc1nc(NC)nc2ccccc12.
What is the InChIKey of 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine?
The InChIKey is IFQZDBCCRYTPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-5-6-7-10-13(2)19-16-14-11-8-9-12-15(14)20-17(18-3)21-16/h8-9,11-13H,4-7,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine?
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 80782825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).