phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

C18H18N4O2S — CID 21062807

IUPACphenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCc1cc2c(N3CCN(C(=O)Oc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C18H18N4O2S/c1-13-11-15-16(19-12-20-17(15)25-13)21-7-9-22(10-8-21)18(23)24-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyKFXRIIRXNBDLKX-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.32
Rot. Bonds2

About phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 21062807) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID21062807
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Namephenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCc1cc2c(N3CCN(C(=O)Oc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C18H18N4O2S/c1-13-11-15-16(19-12-20-17(15)25-13)21-7-9-22(10-8-21)18(23)24-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyKFXRIIRXNBDLKX-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
(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
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
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
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
(3-methoxy-5-methyl-2-pyridinyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 136535868
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
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 21062807) is phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is Cc1cc2c(N3CCN(C(=O)Oc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is KFXRIIRXNBDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-11-15-16(19-12-20-17(15)25-13)21-7-9-22(10-8-21)18(23)24-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 354.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 21062807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).