N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C20H25N5S — CID 4795424

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C20H25N5S/c1-4-25-10-6-8-16(25)12-22-19-17-13(2)14(3)26-20(17)24-18(23-19)15-7-5-9-21-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,23,24)
InChIKeyHAEJEBUTPRAEQA-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.27
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4795424) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4795424
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c12
InChIInChI=1S/C20H25N5S/c1-4-25-10-6-8-16(25)12-22-19-17-13(2)14(3)26-20(17)24-18(23-19)15-7-5-9-21-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,23,24)
InChIKeyHAEJEBUTPRAEQA-UHFFFAOYSA-N
XLogP4.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 4795424) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is CCN1CCCC1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HAEJEBUTPRAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-4-25-10-6-8-16(25)12-22-19-17-13(2)14(3)26-20(17)24-18(23-19)15-7-5-9-21-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,23,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 367.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4795424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).