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

C15H23N5S — CID 103327814

IUPACN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCN(C)C(C)(C)C2)c2ccsc2n1
InChIInChI=1S/C15H23N5S/c1-5-16-14-17-12(11-6-9-21-13(11)18-14)20-8-7-19(4)15(2,3)10-20/h6,9H,5,7-8,10H2,1-4H3,(H,16,17,18)
InChIKeyRKNXXHOHQVHAEU-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.65
Rot. Bonds3

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

N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327814) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327814
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCN(C)C(C)(C)C2)c2ccsc2n1
InChIInChI=1S/C15H23N5S/c1-5-16-14-17-12(11-6-9-21-13(11)18-14)20-8-7-19(4)15(2,3)10-20/h6,9H,5,7-8,10H2,1-4H3,(H,16,17,18)
InChIKeyRKNXXHOHQVHAEU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103325159
4-(3,3-diethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103329016
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
[4-(2,2-dimethylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335812
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103325584
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80833885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327814) is N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCN(C)C(C)(C)C2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is RKNXXHOHQVHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-5-16-14-17-12(11-6-9-21-13(11)18-14)20-8-7-19(4)15(2,3)10-20/h6,9H,5,7-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).