N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C19H20N4O2S — CID 2371805

IUPACN-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CNCc3ccco3)nc(NCc3ccco3)c2c1C
InChIInChI=1S/C19H20N4O2S/c1-12-13(2)26-19-17(12)18(21-10-15-6-4-8-25-15)22-16(23-19)11-20-9-14-5-3-7-24-14/h3-8,20H,9-11H2,1-2H3,(H,21,22,23)
InChIKeyKCQQVGOQWICLBH-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.40
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2371805) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2371805
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CNCc3ccco3)nc(NCc3ccco3)c2c1C
InChIInChI=1S/C19H20N4O2S/c1-12-13(2)26-19-17(12)18(21-10-15-6-4-8-25-15)22-16(23-19)11-20-9-14-5-3-7-24-14/h3-8,20H,9-11H2,1-2H3,(H,21,22,23)
InChIKeyKCQQVGOQWICLBH-UHFFFAOYSA-N
XLogP4.40
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2125559
2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 50960647
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68622626
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62699465
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 2371805) is N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CNCc3ccco3)nc(NCc3ccco3)c2c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KCQQVGOQWICLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-13(2)26-19-17(12)18(21-10-15-6-4-8-25-15)22-16(23-19)11-20-9-14-5-3-7-24-14/h3-8,20H,9-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).