4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine

C15H16N4O — CID 80803693

IUPAC4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-16-15-18-13-7-3-2-6-12(13)14(19-15)17-9-8-11-5-4-10-20-11/h2-7,10H,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyUQGSJCWSBBQUHE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds5

About 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine

4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine (PubChem CID 80803693) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
PubChem CID80803693
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-16-15-18-13-7-3-2-6-12(13)14(19-15)17-9-8-11-5-4-10-20-11/h2-7,10H,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyUQGSJCWSBBQUHE-UHFFFAOYSA-N
XLogP2.92
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
CID 106424669
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
4-N-benzyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
CID 91963709
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine (CID 80803693) is 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCCc2ccco2)c2ccccc2n1.
What is the InChIKey of 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine?
The InChIKey is UQGSJCWSBBQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-15-18-13-7-3-2-6-12(13)14(19-15)17-9-8-11-5-4-10-20-11/h2-7,10H,8-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine?
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).