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

C22H23N3O3S — CID 3802517

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccco2)c2ncnc3sc(C)c(C)c23)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-14-15(2)29-22-20(14)21(23-13-24-22)25(12-17-6-5-9-28-17)11-16-7-8-18(26-3)19(10-16)27-4/h5-10,13H,11-12H2,1-4H3
InChIKeyBLPQXRKDGZWNPX-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.13
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 3802517) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID3802517
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccco2)c2ncnc3sc(C)c(C)c23)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-14-15(2)29-22-20(14)21(23-13-24-22)25(12-17-6-5-9-28-17)11-16-7-8-18(26-3)19(10-16)27-4/h5-10,13H,11-12H2,1-4H3
InChIKeyBLPQXRKDGZWNPX-UHFFFAOYSA-N
XLogP5.13
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24679695
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol
CID 24713915
N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 4520546
N-[(3,4-dimethoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576731
1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(4-methylphenyl)thiourea
CID 17376956
N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46132087
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678042
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 3802517) is N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CN(Cc2ccco2)c2ncnc3sc(C)c(C)c23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BLPQXRKDGZWNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-15(2)29-22-20(14)21(23-13-24-22)25(12-17-6-5-9-28-17)11-16-7-8-18(26-3)19(10-16)27-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 409.51 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3802517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).