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

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

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Related Compounds

3-[[2-(ethylamino)quinazolin-4-yl]amino]-3-methylpentan-1-ol
CID 106179198
4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
CID 114944660
2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80804060
2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759530
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
CID 107868727
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
CID 106179085
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204

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).