2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol

C15H20N4O — CID 114632932

IUPAC2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2(C)C)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-15(2)11(8-12(15)20)18-13-9-6-4-5-7-10(9)17-14(16-3)19-13/h4-7,11-12,20H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXMPELXOTQVEJW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds3

About 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol (PubChem CID 114632932) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
PubChem CID114632932
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2(C)C)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c1-15(2)11(8-12(15)20)18-13-9-6-4-5-7-10(9)17-14(16-3)19-13/h4-7,11-12,20H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXMPELXOTQVEJW-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633032
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
CID 80827050
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
CID 80826905
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80791505
3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628814
2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
CID 114630093
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol (CID 114632932) is 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol is CNc1nc(NC2CC(O)C2(C)C)c2ccccc2n1.
What is the InChIKey of 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is WXMPELXOTQVEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2)11(8-12(15)20)18-13-9-6-4-5-7-10(9)17-14(16-3)19-13/h4-7,11-12,20H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114632932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).