2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one

C18H17N5O2S — CID 146521758

IUPAC2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Oc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C18H17N5O2S/c1-10(2)25-13-5-4-11(8-20-13)12-9-26-15-14(12)21-16(22-18(15)24)17-19-6-7-23(17)3/h4-10H,1-3H3,(H,21,22,24)
InChIKeyPDBROMMJPYBYQB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146521758) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146521758
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Oc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C18H17N5O2S/c1-10(2)25-13-5-4-11(8-20-13)12-9-26-15-14(12)21-16(22-18(15)24)17-19-6-7-23(17)3/h4-10H,1-3H3,(H,21,22,24)
InChIKeyPDBROMMJPYBYQB-UHFFFAOYSA-N
XLogP3.23
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 146521758) is 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)Oc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PDBROMMJPYBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10(2)25-13-5-4-11(8-20-13)12-9-26-15-14(12)21-16(22-18(15)24)17-19-6-7-23(17)3/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 367.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-7-(6-propan-2-yloxy-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146521758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).