2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

C14H20N4O — CID 80771309

IUPAC2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCCCOC)c2ccccc2n1
InChIInChI=1S/C14H20N4O/c1-3-15-14-17-12-8-5-4-7-11(12)13(18-14)16-9-6-10-19-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyORODFOFWOKAJQC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds7

About 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (PubChem CID 80771309) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
PubChem CID80771309
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCCCOC)c2ccccc2n1
InChIInChI=1S/C14H20N4O/c1-3-15-14-17-12-8-5-4-7-11(12)13(18-14)16-9-6-10-19-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyORODFOFWOKAJQC-UHFFFAOYSA-N
XLogP2.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
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-(3-methoxypropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine (CID 80771309) is 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is CCNc1nc(NCCCOC)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
The InChIKey is ORODFOFWOKAJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-15-14-17-12-8-5-4-7-11(12)13(18-14)16-9-6-10-19-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80771309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).