7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine

C20H18N4O3S — CID 164614210

IUPAC7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3scc(-c4cccnc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3S/c1-25-15-7-13(8-16(26-2)19(15)27-3)23-20-22-10-17-18(24-20)14(11-28-17)12-5-4-6-21-9-12/h4-11H,1-3H3,(H,22,23,24)
InChIKeyVDNSESRAGYRDGT-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.52
Rot. Bonds6

About 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine

7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 164614210) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID164614210
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3scc(-c4cccnc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3S/c1-25-15-7-13(8-16(26-2)19(15)27-3)23-20-22-10-17-18(24-20)14(11-28-17)12-5-4-6-21-9-12/h4-11H,1-3H3,(H,22,23,24)
InChIKeyVDNSESRAGYRDGT-UHFFFAOYSA-N
XLogP4.52
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 137321167
4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 11632150
N,4-Dimethyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11718021
N-[3-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466264
N-Ethyl-4-methyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11647020
N-(3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 16058707
[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-pyrimidin-2-yl]-(3,4,5-trimethoxy-phenyl)-amine
CID 24860829
7-(thiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44410294
7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411413
N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine
CID 2494828
3-thiophen-3-yl-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 44527176
4-N-(3,4-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49786666

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine (CID 164614210) is 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(Nc2ncc3scc(-c4cccnc4)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is VDNSESRAGYRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-25-15-7-13(8-16(26-2)19(15)27-3)23-20-22-10-17-18(24-20)14(11-28-17)12-5-4-6-21-9-12/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 394.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 164614210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).