8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine

C18H21FN4O — CID 71498129

IUPAC8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
SMILESCCCCCNc1nc(NCc2ccco2)c2cccc(F)c2n1
InChIInChI=1S/C18H21FN4O/c1-2-3-4-10-20-18-22-16-14(8-5-9-15(16)19)17(23-18)21-12-13-7-6-11-24-13/h5-9,11H,2-4,10,12H2,1H3,(H2,20,21,22,23)
InChIKeyNMCYMLZPQFDPFP-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.58
Rot. Bonds8

About 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine

8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine (PubChem CID 71498129) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine.

Molecular Properties

Compound Name8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
PubChem CID71498129
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
SMILESCCCCCNc1nc(NCc2ccco2)c2cccc(F)c2n1
InChIInChI=1S/C18H21FN4O/c1-2-3-4-10-20-18-22-16-14(8-5-9-15(16)19)17(23-18)21-12-13-7-6-11-24-13/h5-9,11H,2-4,10,12H2,1H3,(H2,20,21,22,23)
InChIKeyNMCYMLZPQFDPFP-UHFFFAOYSA-N
XLogP4.58
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 71498144
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
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
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
4-N-benzyl-2-N-[[3-[[[4-(benzylamino)-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-6-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 11093629
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The IUPAC name of 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine (CID 71498129) is 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine.
What is the SMILES notation for 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The canonical SMILES for 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine is CCCCCNc1nc(NCc2ccco2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
The InChIKey is NMCYMLZPQFDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-3-4-10-20-18-22-16-14(8-5-9-15(16)19)17(23-18)21-12-13-7-6-11-24-13/h5-9,11H,2-4,10,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine?
8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine has a molecular weight of 328.39 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine is sourced from PubChem (CID 71498129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).