4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol

C15H20N4O — CID 80770402

IUPAC4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(NC2CCC(O)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-16-15-18-13-5-3-2-4-12(13)14(19-15)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyPXXQHDLGEUKLTM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds3

About 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol

4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80770402) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
PubChem CID80770402
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(NC2CCC(O)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-16-15-18-13-5-3-2-4-12(13)14(19-15)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyPXXQHDLGEUKLTM-UHFFFAOYSA-N
XLogP2.39
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol (CID 80770402) is 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol is CNc1nc(NC2CCC(O)CC2)c2ccccc2n1.
What is the InChIKey of 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is PXXQHDLGEUKLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15-18-13-5-3-2-4-12(13)14(19-15)17-10-6-8-11(20)9-7-10/h2-5,10-11,20H,6-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80770402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).