2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol

C16H24N4O — CID 80804060

IUPAC2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-16(5-2,11-21)20-14-12-9-7-8-10-13(12)18-15(19-14)17-6-3/h7-10,21H,4-6,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyJYYGXRQIEKESPZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.02
Rot. Bonds7

About 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol

2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol (PubChem CID 80804060) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol
PubChem CID80804060
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-16(5-2,11-21)20-14-12-9-7-8-10-13(12)18-15(19-14)17-6-3/h7-10,21H,4-6,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyJYYGXRQIEKESPZ-UHFFFAOYSA-N
XLogP3.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
CID 107868727
3-[[2-(ethylamino)quinazolin-4-yl]amino]-3-methylpentan-1-ol
CID 106179198
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol
CID 106179217
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
CID 62521090
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-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol (CID 80804060) is 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol is CCNc1nc(NC(CC)(CC)CO)c2ccccc2n1.
What is the InChIKey of 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is JYYGXRQIEKESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-16(5-2,11-21)20-14-12-9-7-8-10-13(12)18-15(19-14)17-6-3/h7-10,21H,4-6,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol?
2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 288.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80804060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).