4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C16H18N4S — CID 91966295

IUPAC4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCc2cccs2)nc2ccccc12
InChIInChI=1S/C16H18N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h3-8,10H,2,9,11H2,1H3,(H2,17,18,19,20)
InChIKeyCCJQIZVFIXNJID-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.13
Rot. Bonds6

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

4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 91966295) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID91966295
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCc2cccs2)nc2ccccc12
InChIInChI=1S/C16H18N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h3-8,10H,2,9,11H2,1H3,(H2,17,18,19,20)
InChIKeyCCJQIZVFIXNJID-UHFFFAOYSA-N
XLogP4.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
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-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80813725
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
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

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 91966295) is 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is CCCNc1nc(NCc2cccs2)nc2ccccc12.
What is the InChIKey of 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is CCJQIZVFIXNJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-9-17-15-13-7-3-4-8-14(13)19-16(20-15)18-11-12-6-5-10-21-12/h3-8,10H,2,9,11H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 298.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91966295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).