6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine

C20H21N5O2S — CID 142432996

IUPAC6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4ccn[nH]4)s3)c2cc1OC
InChIInChI=1S/C20H21N5O2S/c1-11(18-5-6-19(28-18)14-7-8-21-25-14)22-20-13-9-16(26-3)17(27-4)10-15(13)23-12(2)24-20/h5-11H,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyYIBKXDPENKLLHG-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.58
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 142432996) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine
PubChem CID142432996
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4ccn[nH]4)s3)c2cc1OC
InChIInChI=1S/C20H21N5O2S/c1-11(18-5-6-19(28-18)14-7-8-21-25-14)22-20-13-9-16(26-3)17(27-4)10-15(13)23-12(2)24-20/h5-11H,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyYIBKXDPENKLLHG-UHFFFAOYSA-N
XLogP4.58
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine (CID 142432996) is 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(-c4ccn[nH]4)s3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine?
The InChIKey is YIBKXDPENKLLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-11(18-5-6-19(28-18)14-7-8-21-25-14)22-20-13-9-16(26-3)17(27-4)10-15(13)23-12(2)24-20/h5-11H,1-4H3,(H,21,25)(H,22,23,24).
What are the key properties of 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 395.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 142432996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).