[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone

C19H21N5OS — CID 39073313

IUPAC[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1cc2c(N3CCN(C(=O)c4cccnc4)CC3)nc(C)nc2s1
InChIInChI=1S/C19H21N5OS/c1-3-15-11-16-17(21-13(2)22-18(16)26-15)23-7-9-24(10-8-23)19(25)14-5-4-6-20-12-14/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeySIEOGZMSDBKXJN-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.92
Rot. Bonds3

About [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 39073313) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID39073313
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1cc2c(N3CCN(C(=O)c4cccnc4)CC3)nc(C)nc2s1
InChIInChI=1S/C19H21N5OS/c1-3-15-11-16-17(21-13(2)22-18(16)26-15)23-7-9-24(10-8-23)19(25)14-5-4-6-20-12-14/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeySIEOGZMSDBKXJN-UHFFFAOYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

2-[2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 39073293
1-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 39073278
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 6484478
methyl 2-[6-ethyl-4-[4-(4-methylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
CID 59763774
6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 16627269
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108756308
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
methyl 2-[6-ethyl-4-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
CID 59763770
2-[6-ethyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 69161209
methyl 2-[4-[4-(4-carbamoylbenzoyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
CID 59763760
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82331752

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 39073313) is [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone is CCc1cc2c(N3CCN(C(=O)c4cccnc4)CC3)nc(C)nc2s1.
What is the InChIKey of [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is SIEOGZMSDBKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-3-15-11-16-17(21-13(2)22-18(16)26-15)23-7-9-24(10-8-23)19(25)14-5-4-6-20-12-14/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 367.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 39073313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).