4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine

C17H20N4O2 — CID 90676320

IUPAC4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCOc1ccc2nc(NC(C)C)nc(NCc3ccco3)c2c1
InChIInChI=1S/C17H20N4O2/c1-11(2)19-17-20-15-7-6-12(22-3)9-14(15)16(21-17)18-10-13-5-4-8-23-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyFBHBXKNULWFBJT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 90676320) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID90676320
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCOc1ccc2nc(NC(C)C)nc(NCc3ccco3)c2c1
InChIInChI=1S/C17H20N4O2/c1-11(2)19-17-20-15-7-6-12(22-3)9-14(15)16(21-17)18-10-13-5-4-8-23-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyFBHBXKNULWFBJT-UHFFFAOYSA-N
XLogP3.66
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
N-(furan-2-ylmethyl)-N'-[7-(4-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine;hydrochloride
CID 56595410

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine (CID 90676320) is 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine is COc1ccc2nc(NC(C)C)nc(NCc3ccco3)c2c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is FBHBXKNULWFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)19-17-20-15-7-6-12(22-3)9-14(15)16(21-17)18-10-13-5-4-8-23-13/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 312.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 90676320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).