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

C16H19N7S — CID 155976248

IUPACN,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ncnc4sccc34)CC2)n1
InChIInChI=1S/C16H19N7S/c1-21(2)13-3-5-17-16(20-13)23-8-6-22(7-9-23)14-12-4-10-24-15(12)19-11-18-14/h3-5,10-11H,6-9H2,1-2H3
InChIKeyKBLWYFPYTIYNCA-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.87
Rot. Bonds3

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

N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 155976248) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID155976248
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC NameN,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ncnc4sccc34)CC2)n1
InChIInChI=1S/C16H19N7S/c1-21(2)13-3-5-17-16(20-13)23-8-6-22(7-9-23)14-12-4-10-24-15(12)19-11-18-14/h3-5,10-11H,6-9H2,1-2H3
InChIKeyKBLWYFPYTIYNCA-UHFFFAOYSA-N
XLogP1.87
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154883399
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine (CID 155976248) is N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3ncnc4sccc34)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KBLWYFPYTIYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-21(2)13-3-5-17-16(20-13)23-8-6-22(7-9-23)14-12-4-10-24-15(12)19-11-18-14/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 155976248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).