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

C19H20N4OS — CID 1149185

IUPAC[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H20N4OS/c1-2-15-12-16-17(20-13-21-18(16)25-15)22-8-10-23(11-9-22)19(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYSZRMVPNQGZBKY-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.22
Rot. Bonds3

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

[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 1149185) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
PubChem CID1149185
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H20N4OS/c1-2-15-12-16-17(20-13-21-18(16)25-15)22-8-10-23(11-9-22)19(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYSZRMVPNQGZBKY-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone (CID 1149185) is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is CCc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc2s1.
What is the InChIKey of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is YSZRMVPNQGZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-15-12-16-17(20-13-21-18(16)25-15)22-8-10-23(11-9-22)19(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 352.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 1149185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).