[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone

C19H28N4OS — CID 3280283

IUPAC[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C
InChIInChI=1S/C19H28N4OS/c1-5-14-10-8-9-11-23(14)19(24)16-13(4)15-17(22(6-2)7-3)20-12-21-18(15)25-16/h12,14H,5-11H2,1-4H3
InChIKeyGYWHRERGEHXKHF-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.25
Rot. Bonds5

About [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone

[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 3280283) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID3280283
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C
InChIInChI=1S/C19H28N4OS/c1-5-14-10-8-9-11-23(14)19(24)16-13(4)15-17(22(6-2)7-3)20-12-21-18(15)25-16/h12,14H,5-11H2,1-4H3
InChIKeyGYWHRERGEHXKHF-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone (CID 3280283) is [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C.
What is the InChIKey of [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is GYWHRERGEHXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-5-14-10-8-9-11-23(14)19(24)16-13(4)15-17(22(6-2)7-3)20-12-21-18(15)25-16/h12,14H,5-11H2,1-4H3.
What are the key properties of [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 360.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3280283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).