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

C15H19N5OS — CID 46998621

IUPACN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(Cc1cnn(C)c1)c1nc(C)nc2sccc12
InChIInChI=1S/C15H19N5OS/c1-11-17-14(13-4-7-22-15(13)18-11)20(5-6-21-3)10-12-8-16-19(2)9-12/h4,7-9H,5-6,10H2,1-3H3
InChIKeyIDALCNVDBNMOLI-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.39
Rot. Bonds6

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

N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46998621) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID46998621
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(Cc1cnn(C)c1)c1nc(C)nc2sccc12
InChIInChI=1S/C15H19N5OS/c1-11-17-14(13-4-7-22-15(13)18-11)20(5-6-21-3)10-12-8-16-19(2)9-12/h4,7-9H,5-6,10H2,1-3H3
InChIKeyIDALCNVDBNMOLI-UHFFFAOYSA-N
XLogP2.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 46998621) is N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is COCCN(Cc1cnn(C)c1)c1nc(C)nc2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IDALCNVDBNMOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-17-14(13-4-7-22-15(13)18-11)20(5-6-21-3)10-12-8-16-19(2)9-12/h4,7-9H,5-6,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46998621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).