2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine

C16H18N4S — CID 80813725

IUPAC2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCc2ccsc2)c2ccccc2n1
InChIInChI=1S/C16H18N4S/c1-2-8-17-16-19-14-6-4-3-5-13(14)15(20-16)18-10-12-7-9-21-11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,17,18,19,20)
InChIKeyPRASFMLKKGZINZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.13
Rot. Bonds6

About 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine

2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine (PubChem CID 80813725) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
PubChem CID80813725
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCc2ccsc2)c2ccccc2n1
InChIInChI=1S/C16H18N4S/c1-2-8-17-16-19-14-6-4-3-5-13(14)15(20-16)18-10-12-7-9-21-11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,17,18,19,20)
InChIKeyPRASFMLKKGZINZ-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

4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828035
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
CID 80771008
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
CID 91963709
2-N-ethyl-6-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327668

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine (CID 80813725) is 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine is CCCNc1nc(NCc2ccsc2)c2ccccc2n1.
What is the InChIKey of 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is PRASFMLKKGZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-8-17-16-19-14-6-4-3-5-13(14)15(20-16)18-10-12-7-9-21-11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine?
2-N-propyl-4-N-(thiophen-3-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 2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80813725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).