1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone

C20H25N5O — CID 112934085

IUPAC1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H25N5O/c1-16(26)23-11-13-25(14-12-23)20-21-18(17-7-3-2-4-8-17)15-19(22-20)24-9-5-6-10-24/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyIWAJNJZUWPARHY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 112934085) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID112934085
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H25N5O/c1-16(26)23-11-13-25(14-12-23)20-21-18(17-7-3-2-4-8-17)15-19(22-20)24-9-5-6-10-24/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyIWAJNJZUWPARHY-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112936718
1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112934992
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone (CID 112934085) is 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3ccccc3)cc(N3CCCC3)n2)CC1.
What is the InChIKey of 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IWAJNJZUWPARHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16(26)23-11-13-25(14-12-23)20-21-18(17-7-3-2-4-8-17)15-19(22-20)24-9-5-6-10-24/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112934085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).