3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol

C16H24N4O — CID 106358160

IUPAC3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
SMILESCCNc1nc(NC(CCO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-17-16-19-14-8-6-5-7-12(14)15(20-16)18-13(9-10-21)11(2)3/h5-8,11,13,21H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyTWUXPAFJTLVJCB-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.88
Rot. Bonds7

About 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol

3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol (PubChem CID 106358160) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
PubChem CID106358160
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
SMILESCCNc1nc(NC(CCO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-17-16-19-14-8-6-5-7-12(14)15(20-16)18-13(9-10-21)11(2)3/h5-8,11,13,21H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyTWUXPAFJTLVJCB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol (CID 106358160) is 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol is CCNc1nc(NC(CCO)C(C)C)c2ccccc2n1.
What is the InChIKey of 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol?
The InChIKey is TWUXPAFJTLVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-17-16-19-14-8-6-5-7-12(14)15(20-16)18-13(9-10-21)11(2)3/h5-8,11,13,21H,4,9-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol?
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol has a molecular weight of 288.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).