(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C16H15ClN6OS — CID 136528007

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C16H15ClN6OS/c1-10-18-8-11(17)13(21-10)16(24)23-5-3-22(4-6-23)15-14-12(2-7-25-14)19-9-20-15/h2,7-9H,3-6H2,1H3
InChIKeyQWSGRNMTQLFVJS-UHFFFAOYSA-N
MW374.86 g/mol
LogP2.41
Rot. Bonds2

About (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 136528007) has the molecular formula C16H15ClN6OS and a molecular weight of 374.86 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID136528007
Molecular FormulaC16H15ClN6OS
Molecular Weight374.86 g/mol
Exact Mass374.07
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C16H15ClN6OS/c1-10-18-8-11(17)13(21-10)16(24)23-5-3-22(4-6-23)15-14-12(2-7-25-14)19-9-20-15/h2,7-9H,3-6H2,1H3
InChIKeyQWSGRNMTQLFVJS-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
CID 133340858
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 136519791
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
(3-cyclohexyl-1-methylpyrazol-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 139003793
7-amino-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119884627

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 136528007) is (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is Cc1ncc(Cl)c(C(=O)N2CCN(c3ncnc4ccsc34)CC2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is QWSGRNMTQLFVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6OS/c1-10-18-8-11(17)13(21-10)16(24)23-5-3-22(4-6-23)15-14-12(2-7-25-14)19-9-20-15/h2,7-9H,3-6H2,1H3.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 374.86 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136528007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).