5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H21N5S — CID 60701185

IUPAC5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCN(C)CC3)nc(N)c2c1C
InChIInChI=1S/C14H21N5S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19-6-4-18(3)5-7-19/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyZDKGJJIGBZZDRN-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.64
Rot. Bonds2

About 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 60701185) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID60701185
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCN(C)CC3)nc(N)c2c1C
InChIInChI=1S/C14H21N5S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19-6-4-18(3)5-7-19/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyZDKGJJIGBZZDRN-UHFFFAOYSA-N
XLogP1.64
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 60701185) is 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCN(C)CC3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZDKGJJIGBZZDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-9-10(2)20-14-12(9)13(15)16-11(17-14)8-19-6-4-18(3)5-7-19/h4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60701185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).