6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 133408683

IUPAC6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCN(CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C16H24N4S/c1-11(2)9-20-6-4-13(5-7-20)19-15-14-8-12(3)21-16(14)18-10-17-15/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyMBPIHFSXSIRLCA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.53
Rot. Bonds4

About 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133408683) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133408683
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCN(CC(C)C)CC3)ncnc2s1
InChIInChI=1S/C16H24N4S/c1-11(2)9-20-6-4-13(5-7-20)19-15-14-8-12(3)21-16(14)18-10-17-15/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyMBPIHFSXSIRLCA-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 133408683) is 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCN(CC(C)C)CC3)ncnc2s1.
What is the InChIKey of 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MBPIHFSXSIRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-11(2)9-20-6-4-13(5-7-20)19-15-14-8-12(3)21-16(14)18-10-17-15/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133408683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).