1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione

C24H26N2O5S — CID 155671917

IUPAC1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCC#Cc1sc2c(c1C)c(=O)[nH]c(=O)n2C[C@H](OC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C24H26N2O5S/c1-4-7-20-15(2)21-22(27)25-24(28)26(23(21)32-20)14-19(31-16-10-12-30-13-11-16)17-8-5-6-9-18(17)29-3/h5-6,8-9,16,19H,10-14H2,1-3H3,(H,25,27,28)/t19-/m0/s1
InChIKeySTGMYOANRRWRJZ-IBGZPJMESA-N
MW454.55 g/mol
LogP3.38
Rot. Bonds6

About 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione

1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155671917) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155671917
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCC#Cc1sc2c(c1C)c(=O)[nH]c(=O)n2C[C@H](OC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C24H26N2O5S/c1-4-7-20-15(2)21-22(27)25-24(28)26(23(21)32-20)14-19(31-16-10-12-30-13-11-16)17-8-5-6-9-18(17)29-3/h5-6,8-9,16,19H,10-14H2,1-3H3,(H,25,27,28)/t19-/m0/s1
InChIKeySTGMYOANRRWRJZ-IBGZPJMESA-N
XLogP3.38
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione (CID 155671917) is 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione is CC#Cc1sc2c(c1C)c(=O)[nH]c(=O)n2C[C@H](OC1CCOCC1)c1ccccc1OC.
What is the InChIKey of 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is STGMYOANRRWRJZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-7-20-15(2)21-22(27)25-24(28)26(23(21)32-20)14-19(31-16-10-12-30-13-11-16)17-8-5-6-9-18(17)29-3/h5-6,8-9,16,19H,10-14H2,1-3H3,(H,25,27,28)/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione?
1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 454.55 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-prop-1-ynylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155671917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).