N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 114539498

IUPACN-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CC(C)N(C)C(C)C2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-10-7-20(8-11(2)19(10)4)9-13-17-14(16-3)12-5-6-21-15(12)18-13/h5-6,10-11H,7-9H2,1-4H3,(H,16,17,18)
InChIKeyCXCLGMYECLZTPR-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114539498) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID114539498
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CC(C)N(C)C(C)C2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-10-7-20(8-11(2)19(10)4)9-13-17-14(16-3)12-5-6-21-15(12)18-13/h5-6,10-11H,7-9H2,1-4H3,(H,16,17,18)
InChIKeyCXCLGMYECLZTPR-UHFFFAOYSA-N
XLogP2.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 114539498) is N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN2CC(C)N(C)C(C)C2)nc2sccc12.
What is the InChIKey of N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CXCLGMYECLZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-10-7-20(8-11(2)19(10)4)9-13-17-14(16-3)12-5-6-21-15(12)18-13/h5-6,10-11H,7-9H2,1-4H3,(H,16,17,18).
What are the key properties of N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114539498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).