N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H19N5OS — CID 50981980

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(Nc1ncnc2sc(C)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H19N5OS/c1-9-10(2)22-15-13(9)14(16-8-17-15)19-11(7-21-4)12-5-6-18-20(12)3/h5-6,8,11H,7H2,1-4H3,(H,16,17,19)
InChIKeySYLDGTNPRMWKTL-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.84
Rot. Bonds5

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 50981980) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID50981980
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(Nc1ncnc2sc(C)c(C)c12)c1ccnn1C
InChIInChI=1S/C15H19N5OS/c1-9-10(2)22-15-13(9)14(16-8-17-15)19-11(7-21-4)12-5-6-18-20(12)3/h5-6,8,11H,7H2,1-4H3,(H,16,17,19)
InChIKeySYLDGTNPRMWKTL-UHFFFAOYSA-N
XLogP2.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 50981980) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COCC(Nc1ncnc2sc(C)c(C)c12)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SYLDGTNPRMWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-9-10(2)22-15-13(9)14(16-8-17-15)19-11(7-21-4)12-5-6-18-20(12)3/h5-6,8,11H,7H2,1-4H3,(H,16,17,19).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50981980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).