4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine

C17H20N8 — CID 167960881

IUPAC4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(CCN2CCN(c3nccc(-n4ccnc4)n3)CC2)cn1
InChIInChI=1S/C17H20N8/c1-3-21-17(22-16(1)25-8-6-19-14-25)24-11-9-23(10-12-24)7-2-15-13-18-4-5-20-15/h1,3-6,8,13-14H,2,7,9-12H2
InChIKeyMKIPKOOGYSVNNZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.82
Rot. Bonds5

About 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine

4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 167960881) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID167960881
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(CCN2CCN(c3nccc(-n4ccnc4)n3)CC2)cn1
InChIInChI=1S/C17H20N8/c1-3-21-17(22-16(1)25-8-6-19-14-25)24-11-9-23(10-12-24)7-2-15-13-18-4-5-20-15/h1,3-6,8,13-14H,2,7,9-12H2
InChIKeyMKIPKOOGYSVNNZ-UHFFFAOYSA-N
XLogP0.82
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
CID 3071752
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 171334066
2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
CID 167777884
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 163356833
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 166248513
2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 166601016
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine (CID 167960881) is 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine is c1cnc(CCN2CCN(c3nccc(-n4ccnc4)n3)CC2)cn1.
What is the InChIKey of 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is MKIPKOOGYSVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-3-21-17(22-16(1)25-8-6-19-14-25)24-11-9-23(10-12-24)7-2-15-13-18-4-5-20-15/h1,3-6,8,13-14H,2,7,9-12H2.
What are the key properties of 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine?
4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 167960881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).