(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C19H21N5O2S — CID 136535868

IUPAC(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C)cnc1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C19H21N5O2S/c1-12-8-15(26-3)16(20-10-12)19(25)24-6-4-23(5-7-24)17-14-9-13(2)27-18(14)22-11-21-17/h8-11H,4-7H2,1-3H3
InChIKeyWCKWOPMPUNBMQC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.67
Rot. Bonds3

About (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 136535868) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID136535868
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C)cnc1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C19H21N5O2S/c1-12-8-15(26-3)16(20-10-12)19(25)24-6-4-23(5-7-24)17-14-9-13(2)27-18(14)22-11-21-17/h8-11H,4-7H2,1-3H3
InChIKeyWCKWOPMPUNBMQC-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 39072902
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 39073037
2-(2-methylimidazol-1-yl)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154735843

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 136535868) is (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is COc1cc(C)cnc1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1.
What is the InChIKey of (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WCKWOPMPUNBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-8-15(26-3)16(20-10-12)19(25)24-6-4-23(5-7-24)17-14-9-13(2)27-18(14)22-11-21-17/h8-11H,4-7H2,1-3H3.
What are the key properties of (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 383.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136535868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).