4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C22H23N7OS — CID 137271982

IUPAC4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(c4ncnc5sc(C)cc45)CC3)nc2)n1
InChIInChI=1S/C22H23N7OS/c1-3-16-11-19(30)27-20(26-16)15-4-5-18(23-12-15)28-6-8-29(9-7-28)21-17-10-14(2)31-22(17)25-13-24-21/h4-5,10-13H,3,6-9H2,1-2H3,(H,26,27,30)
InChIKeyFBJLHQDGUJFTBW-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.03
Rot. Bonds4

About 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137271982) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137271982
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(c4ncnc5sc(C)cc45)CC3)nc2)n1
InChIInChI=1S/C22H23N7OS/c1-3-16-11-19(30)27-20(26-16)15-4-5-18(23-12-15)28-6-8-29(9-7-28)21-17-10-14(2)31-22(17)25-13-24-21/h4-5,10-13H,3,6-9H2,1-2H3,(H,26,27,30)
InChIKeyFBJLHQDGUJFTBW-UHFFFAOYSA-N
XLogP3.03
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137271982) is 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCN(c4ncnc5sc(C)cc45)CC3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is FBJLHQDGUJFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-3-16-11-19(30)27-20(26-16)15-4-5-18(23-12-15)28-6-8-29(9-7-28)21-17-10-14(2)31-22(17)25-13-24-21/h4-5,10-13H,3,6-9H2,1-2H3,(H,26,27,30).
What are the key properties of 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 433.54 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137271982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).