N-(thiophen-2-ylmethyl)quinazolin-4-amine

C13H11N3S — CID 4286982

IUPACN-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyRCUHGEBCORNMJQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds3

About N-(thiophen-2-ylmethyl)quinazolin-4-amine

N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 4286982) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID4286982
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyRCUHGEBCORNMJQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
N-(thiophen-2-ylmethyl)cinnolin-4-amine
CID 63588069
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
6-(2-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968209
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
7-N-ethyl-6-nitro-4-N-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
CID 22921847

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 4286982) is N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)quinazolin-4-amine is c1csc(CNc2ncnc3ccccc23)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RCUHGEBCORNMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of N-(thiophen-2-ylmethyl)quinazolin-4-amine?
N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 4286982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).