2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine

C14H18F3N7S — CID 56714742

IUPAC2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C14H18F3N7S/c1-9-19-10(2-3-18)8-11(20-9)23-4-6-24(7-5-23)13-22-21-12(25-13)14(15,16)17/h8H,2-7,18H2,1H3
InChIKeyRLZBHGZKKXMJCH-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.48
Rot. Bonds4

About 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine

2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine (PubChem CID 56714742) has the molecular formula C14H18F3N7S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
PubChem CID56714742
Molecular FormulaC14H18F3N7S
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C14H18F3N7S/c1-9-19-10(2-3-18)8-11(20-9)23-4-6-24(7-5-23)13-22-21-12(25-13)14(15,16)17/h8H,2-7,18H2,1H3
InChIKeyRLZBHGZKKXMJCH-UHFFFAOYSA-N
XLogP1.48
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine (CID 56714742) is 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine is Cc1nc(CCN)cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.
What is the InChIKey of 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The InChIKey is RLZBHGZKKXMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7S/c1-9-19-10(2-3-18)8-11(20-9)23-4-6-24(7-5-23)13-22-21-12(25-13)14(15,16)17/h8H,2-7,18H2,1H3.
What are the key properties of 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine has a molecular weight of 373.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 56714742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).