N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

C20H24N6S — CID 163346622

IUPACN-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H24N6S/c1-2-21-20-22-9-8-18(24-20)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24)
InChIKeyGPIKPVYSMLMXGI-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 163346622) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID163346622
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC NameN-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H24N6S/c1-2-21-20-22-9-8-18(24-20)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24)
InChIKeyGPIKPVYSMLMXGI-UHFFFAOYSA-N
XLogP3.35
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 163346622) is N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is CCNc1nccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is GPIKPVYSMLMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-2-21-20-22-9-8-18(24-20)26-12-10-25(11-13-26)14-17-15-27-19(23-17)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,21,22,24).
What are the key properties of N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 380.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 163346622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).