6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C15H22N4S — CID 133407641

IUPAC6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-11(2)9-18-4-6-19(7-5-18)14-13-8-12(3)20-15(13)17-10-16-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyAZHUODUPBBZVDP-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.78
Rot. Bonds3

About 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133407641) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133407641
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C15H22N4S/c1-11(2)9-18-4-6-19(7-5-18)14-13-8-12(3)20-15(13)17-10-16-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyAZHUODUPBBZVDP-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407730
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133407641) is 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCN(CC(C)C)CC3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is AZHUODUPBBZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11(2)9-18-4-6-19(7-5-18)14-13-8-12(3)20-15(13)17-10-16-14/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 290.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).