3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol

C15H22N4O — CID 106179217

IUPAC3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-4-15(2,9-10-20)19-13-11-7-5-6-8-12(11)17-14(16-3)18-13/h5-8,20H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBZQDPJPZLKIGGF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.63
Rot. Bonds6

About 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol

3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol (PubChem CID 106179217) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol
PubChem CID106179217
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(NC)nc2ccccc12
InChIInChI=1S/C15H22N4O/c1-4-15(2,9-10-20)19-13-11-7-5-6-8-12(11)17-14(16-3)18-13/h5-8,20H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBZQDPJPZLKIGGF-UHFFFAOYSA-N
XLogP2.63
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol (CID 106179217) is 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol is CCC(C)(CCO)Nc1nc(NC)nc2ccccc12.
What is the InChIKey of 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol?
The InChIKey is BZQDPJPZLKIGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-15(2,9-10-20)19-13-11-7-5-6-8-12(11)17-14(16-3)18-13/h5-8,20H,4,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol?
3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-(methylamino)quinazolin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 106179217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).