methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate

C15H19N3O2 — CID 133429933

IUPACmethyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNc1ncnc2ccc(C)cc12
InChIInChI=1S/C15H19N3O2/c1-10-5-6-12-11(7-10)13(18-9-17-12)16-8-15(2,3)14(19)20-4/h5-7,9H,8H2,1-4H3,(H,16,17,18)
InChIKeyIXKHBTMNQVWQNA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.55
Rot. Bonds4

About methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate

methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate (PubChem CID 133429933) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
PubChem CID133429933
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNc1ncnc2ccc(C)cc12
InChIInChI=1S/C15H19N3O2/c1-10-5-6-12-11(7-10)13(18-9-17-12)16-8-15(2,3)14(19)20-4/h5-7,9H,8H2,1-4H3,(H,16,17,18)
InChIKeyIXKHBTMNQVWQNA-UHFFFAOYSA-N
XLogP2.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327399
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
diethyl 2-[[(6-methylquinazolin-4-yl)amino]methylidene]propanedioate
CID 13060478
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377450
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
CID 142858154
5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 166209245

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate (CID 133429933) is methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate is COC(=O)C(C)(C)CNc1ncnc2ccc(C)cc12.
What is the InChIKey of methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate?
The InChIKey is IXKHBTMNQVWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-5-6-12-11(7-10)13(18-9-17-12)16-8-15(2,3)14(19)20-4/h5-7,9H,8H2,1-4H3,(H,16,17,18).
What are the key properties of methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate?
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate has a molecular weight of 273.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate is sourced from PubChem (CID 133429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).