2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine

C16H24N4 — CID 80831170

IUPAC2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCCCC(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-4-17-16-19-14-10-6-5-9-13(14)15(20-16)18-11-7-8-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyRMSRFXJQJHXYQE-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.91
Rot. Bonds7

About 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine (PubChem CID 80831170) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
PubChem CID80831170
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCCCC(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-4-17-16-19-14-10-6-5-9-13(14)15(20-16)18-11-7-8-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyRMSRFXJQJHXYQE-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.91
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

2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
CID 80839910
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine (CID 80831170) is 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine is CCNc1nc(NCCCC(C)C)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine?
The InChIKey is RMSRFXJQJHXYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-17-16-19-14-10-6-5-9-13(14)15(20-16)18-11-7-8-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80831170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).