(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C20H22N4O3S — CID 39072864

IUPAC(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C20H22N4O3S/c1-13-11-14-18(21-12-22-19(14)28-13)23-7-9-24(10-8-23)20(25)17-15(26-2)5-4-6-16(17)27-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyYTADJRDDUAHGDC-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.98
Rot. Bonds4

About (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 39072864) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID39072864
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C20H22N4O3S/c1-13-11-14-18(21-12-22-19(14)28-13)23-7-9-24(10-8-23)20(25)17-15(26-2)5-4-6-16(17)27-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyYTADJRDDUAHGDC-UHFFFAOYSA-N
XLogP2.98
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 136535868
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 39073037
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 39072902
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487212

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 39072864) is (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is YTADJRDDUAHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-11-14-18(21-12-22-19(14)28-13)23-7-9-24(10-8-23)20(25)17-15(26-2)5-4-6-16(17)27-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 398.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 39072864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).