2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine

C15H22N4O — CID 80836524

IUPAC2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC(CC)COC)c2ccccc2n1
InChIInChI=1S/C15H22N4O/c1-4-11(10-20-3)17-14-12-8-6-7-9-13(12)18-15(19-14)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyGCLKXHQUIWRVKQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.90
Rot. Bonds7

About 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine (PubChem CID 80836524) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
PubChem CID80836524
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(NC(CC)COC)c2ccccc2n1
InChIInChI=1S/C15H22N4O/c1-4-11(10-20-3)17-14-12-8-6-7-9-13(12)18-15(19-14)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyGCLKXHQUIWRVKQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
CID 80829920
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80786241
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80841877

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine (CID 80836524) is 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine is CCNc1nc(NC(CC)COC)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine?
The InChIKey is GCLKXHQUIWRVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-11(10-20-3)17-14-12-8-6-7-9-13(12)18-15(19-14)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.90, 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-(1-methoxybutan-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80836524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).