4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C16H16N4S — CID 91963705

IUPAC4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESC=CCNc1nc(NCc2cccs2)nc2ccccc12
InChIInChI=1S/C16H16N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h2-8,10H,1,9,11H2,(H2,17,18,19,20)
InChIKeyBVHMENUXJKLGLR-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.90
Rot. Bonds6

About 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91963705) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91963705
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESC=CCNc1nc(NCc2cccs2)nc2ccccc12
InChIInChI=1S/C16H16N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h2-8,10H,1,9,11H2,(H2,17,18,19,20)
InChIKeyBVHMENUXJKLGLR-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982

Frequently Asked Questions

What is the IUPAC name of 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91963705) is 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is C=CCNc1nc(NCc2cccs2)nc2ccccc12.
What is the InChIKey of 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is BVHMENUXJKLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h2-8,10H,1,9,11H2,(H2,17,18,19,20).
What are the key properties of 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 296.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).