2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C15H21N7S — CID 163345462

IUPAC2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C15H21N7S/c1-20(2)12-5-6-16-14(17-12)21-7-9-22(10-8-21)15-18-13(19-23-15)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyLBAQZDSFSRQETQ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 163345462) has the molecular formula C15H21N7S and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID163345462
Molecular FormulaC15H21N7S
Molecular Weight331.45 g/mol
Exact Mass331.16
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C15H21N7S/c1-20(2)12-5-6-16-14(17-12)21-7-9-22(10-8-21)15-18-13(19-23-15)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyLBAQZDSFSRQETQ-UHFFFAOYSA-N
XLogP1.60
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 163345462) is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LBAQZDSFSRQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7S/c1-20(2)12-5-6-16-14(17-12)21-7-9-22(10-8-21)15-18-13(19-23-15)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 331.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 163345462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).