1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one

C17H24N4OS — CID 39073052

IUPAC1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCCc1cc2c(N3CCN(C(=O)CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3
InChIKeyVXYVSOPLZPNDLE-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 39073052) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID39073052
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCCc1cc2c(N3CCN(C(=O)CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3
InChIKeyVXYVSOPLZPNDLE-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one (CID 39073052) is 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one is CCc1cc2c(N3CCN(C(=O)CC(C)C)CC3)ncnc2s1.
What is the InChIKey of 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is VXYVSOPLZPNDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 332.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 39073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).