(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone

C19H28N6OS — CID 46344644

IUPAC(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCCN1CCN(C(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)CC1
InChIInChI=1S/C19H28N6OS/c1-4-23-7-11-25(12-8-23)19(26)16-14(2)15-17(20-13-21-18(15)27-16)24-9-5-22(3)6-10-24/h13H,4-12H2,1-3H3
InChIKeyLZIHAQHAMXPPTM-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.53
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone

(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 46344644) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
PubChem CID46344644
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
SMILESCCN1CCN(C(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)CC1
InChIInChI=1S/C19H28N6OS/c1-4-23-7-11-25(12-8-23)19(26)16-14(2)15-17(20-13-21-18(15)27-16)24-9-5-22(3)6-10-24/h13H,4-12H2,1-3H3
InChIKeyLZIHAQHAMXPPTM-UHFFFAOYSA-N
XLogP1.53
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone (CID 46344644) is (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone is CCN1CCN(C(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is LZIHAQHAMXPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-4-23-7-11-25(12-8-23)19(26)16-14(2)15-17(20-13-21-18(15)27-16)24-9-5-22(3)6-10-24/h13H,4-12H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone?
(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 388.54 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 46344644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).