N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine

C17H21N7S — CID 155942605

IUPACN,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4ccsc34)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H21N7S/c1-12-10-14(21-17(20-12)22(2)3)23-5-7-24(8-6-23)16-15-13(4-9-25-15)18-11-19-16/h4,9-11H,5-8H2,1-3H3
InChIKeyWRYAJIHYJRZTBC-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.18
Rot. Bonds3

About N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine

N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 155942605) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID155942605
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4ccsc34)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H21N7S/c1-12-10-14(21-17(20-12)22(2)3)23-5-7-24(8-6-23)16-15-13(4-9-25-15)18-11-19-16/h4,9-11H,5-8H2,1-3H3
InChIKeyWRYAJIHYJRZTBC-UHFFFAOYSA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154883702
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine (CID 155942605) is N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(c3ncnc4ccsc34)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is WRYAJIHYJRZTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-12-10-14(21-17(20-12)22(2)3)23-5-7-24(8-6-23)16-15-13(4-9-25-15)18-11-19-16/h4,9-11H,5-8H2,1-3H3.
What are the key properties of N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine?
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 355.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 155942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).