4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

C20H24N6 — CID 154829313

IUPAC4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCc1cnn(-c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)c1
InChIInChI=1S/C20H24N6/c1-17-14-23-26(15-17)20-13-19(21-16-22-20)25-11-9-24(10-12-25)8-7-18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3
InChIKeyFGJZUYMBTHSPBH-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.34
Rot. Bonds5

About 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (PubChem CID 154829313) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
PubChem CID154829313
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCc1cnn(-c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)c1
InChIInChI=1S/C20H24N6/c1-17-14-23-26(15-17)20-13-19(21-16-22-20)25-11-9-24(10-12-25)8-7-18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3
InChIKeyFGJZUYMBTHSPBH-UHFFFAOYSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
CID 154829308
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121169015
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (CID 154829313) is 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is Cc1cnn(-c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is FGJZUYMBTHSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-17-14-23-26(15-17)20-13-19(21-16-22-20)25-11-9-24(10-12-25)8-7-18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3.
What are the key properties of 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154829313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).