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

C16H24N4O — CID 80835951

IUPAC1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCNc1nc(N(CC)CC(C)(C)O)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-5-17-15-18-13-10-8-7-9-12(13)14(19-15)20(6-2)11-16(3,4)21/h7-10,21H,5-6,11H2,1-4H3,(H,17,18,19)
InChIKeyAPNFSUKXQPYGAP-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.66
Rot. Bonds6

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

1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 80835951) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID80835951
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCNc1nc(N(CC)CC(C)(C)O)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-5-17-15-18-13-10-8-7-9-12(13)14(19-15)20(6-2)11-16(3,4)21/h7-10,21H,5-6,11H2,1-4H3,(H,17,18,19)
InChIKeyAPNFSUKXQPYGAP-UHFFFAOYSA-N
XLogP2.66
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol (CID 80835951) is 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol is CCNc1nc(N(CC)CC(C)(C)O)c2ccccc2n1.
What is the InChIKey of 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is APNFSUKXQPYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-17-15-18-13-10-8-7-9-12(13)14(19-15)20(6-2)11-16(3,4)21/h7-10,21H,5-6,11H2,1-4H3,(H,17,18,19).
What are the key properties of 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 288.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80835951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).