5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine

C19H23N5O3S — CID 167227826

IUPAC5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc2nc(C)nc(NCc3sc(N)nc3C)c2cc1OC1CCOC1
InChIInChI=1S/C19H23N5O3S/c1-10-17(28-19(20)22-10)8-21-18-13-6-16(27-12-4-5-26-9-12)15(25-3)7-14(13)23-11(2)24-18/h6-7,12H,4-5,8-9H2,1-3H3,(H2,20,22)(H,21,23,24)
InChIKeyBPTHPTUWCJFAQS-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.07
Rot. Bonds6

About 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine

5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 167227826) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID167227826
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc2nc(C)nc(NCc3sc(N)nc3C)c2cc1OC1CCOC1
InChIInChI=1S/C19H23N5O3S/c1-10-17(28-19(20)22-10)8-21-18-13-6-16(27-12-4-5-26-9-12)15(25-3)7-14(13)23-11(2)24-18/h6-7,12H,4-5,8-9H2,1-3H3,(H2,20,22)(H,21,23,24)
InChIKeyBPTHPTUWCJFAQS-UHFFFAOYSA-N
XLogP3.07
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[(1R)-1-[5-amino-2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 155520201
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146992
N-[[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-methoxy-2-methyl-6-[1-[(3S)-oxolan-3-yl]ethoxy]quinazolin-4-amine
CID 170146455
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432797
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146499
6-[[(2S)-1,4-dioxan-2-yl]methoxy]-7-methoxy-2-methyl-N-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-amine
CID 170146928
N-[(1R)-1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-methyl-7-methylsulfanyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 170147007
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-7-methoxy-6-(oxolan-3-yloxy)quinazolin-4-amine
CID 175324522
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
[4-[[3-amino-5-(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methylquinazolin-6-yl] morpholine-4-carboxylate
CID 167197929

Frequently Asked Questions

What is the IUPAC name of 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine (CID 167227826) is 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine is COc1cc2nc(C)nc(NCc3sc(N)nc3C)c2cc1OC1CCOC1.
What is the InChIKey of 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BPTHPTUWCJFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-10-17(28-19(20)22-10)8-21-18-13-6-16(27-12-4-5-26-9-12)15(25-3)7-14(13)23-11(2)24-18/h6-7,12H,4-5,8-9H2,1-3H3,(H2,20,22)(H,21,23,24).
What are the key properties of 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine?
5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 401.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 167227826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).