7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C19H19N5O2S — CID 126495552

IUPAC7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H19N5O2S/c1-11-16(17-13(25-3)6-5-7-14(17)26-4)18-15(27-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyNEISXPLESUCBLC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.16
Rot. Bonds5

About 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495552) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495552
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H19N5O2S/c1-11-16(17-13(25-3)6-5-7-14(17)26-4)18-15(27-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyNEISXPLESUCBLC-UHFFFAOYSA-N
XLogP4.16
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495552) is 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cccc(OC)c1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is NEISXPLESUCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-16(17-13(25-3)6-5-7-14(17)26-4)18-15(27-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 381.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethoxyphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).