4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide

C16H22N4O2S — CID 75499749

IUPAC4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCc1nc(N2CCOCC2C(N)=O)c2c(CC(C)C)csc2n1
InChIInChI=1S/C16H22N4O2S/c1-9(2)6-11-8-23-16-13(11)15(18-10(3)19-16)20-4-5-22-7-12(20)14(17)21/h8-9,12H,4-7H2,1-3H3,(H2,17,21)
InChIKeyFDJRYXIFGRZKKI-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.89
Rot. Bonds4

About 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide

4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 75499749) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID75499749
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCc1nc(N2CCOCC2C(N)=O)c2c(CC(C)C)csc2n1
InChIInChI=1S/C16H22N4O2S/c1-9(2)6-11-8-23-16-13(11)15(18-10(3)19-16)20-4-5-22-7-12(20)14(17)21/h8-9,12H,4-7H2,1-3H3,(H2,17,21)
InChIKeyFDJRYXIFGRZKKI-UHFFFAOYSA-N
XLogP1.89
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide (CID 75499749) is 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide is Cc1nc(N2CCOCC2C(N)=O)c2c(CC(C)C)csc2n1.
What is the InChIKey of 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is FDJRYXIFGRZKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-9(2)6-11-8-23-16-13(11)15(18-10(3)19-16)20-4-5-22-7-12(20)14(17)21/h8-9,12H,4-7H2,1-3H3,(H2,17,21).
What are the key properties of 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide?
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 75499749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).