2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

C17H20FN5O — CID 71498144

IUPAC2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCN(C)CCNc1nc(NCc2ccco2)c2cccc(F)c2n1
InChIInChI=1S/C17H20FN5O/c1-23(2)9-8-19-17-21-15-13(6-3-7-14(15)18)16(22-17)20-11-12-5-4-10-24-12/h3-7,10H,8-9,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyAUUSPCSDMCLCSQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.95
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 71498144) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID71498144
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCN(C)CCNc1nc(NCc2ccco2)c2cccc(F)c2n1
InChIInChI=1S/C17H20FN5O/c1-23(2)9-8-19-17-21-15-13(6-3-7-14(15)18)16(22-17)20-11-12-5-4-10-24-12/h3-7,10H,8-9,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyAUUSPCSDMCLCSQ-UHFFFAOYSA-N
XLogP2.95
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
CID 71498129
2-N-[2-(dimethylamino)ethyl]-6-N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 135368029
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine
CID 67717855
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861440
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 71498144) is 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is CN(C)CCNc1nc(NCc2ccco2)c2cccc(F)c2n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is AUUSPCSDMCLCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-23(2)9-8-19-17-21-15-13(6-3-7-14(15)18)16(22-17)20-11-12-5-4-10-24-12/h3-7,10H,8-9,11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 329.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).