4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

C20H21N5 — CID 58273412

IUPAC4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2cc(N3CCN(Cc4ccncc4)CC3)ncn2)cc1
InChIInChI=1S/C20H21N5/c1-2-4-18(5-3-1)19-14-20(23-16-22-19)25-12-10-24(11-13-25)15-17-6-8-21-9-7-17/h1-9,14,16H,10-13,15H2
InChIKeyRMYYENOUELEXQQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.86
Rot. Bonds4

About 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 58273412) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID58273412
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2cc(N3CCN(Cc4ccncc4)CC3)ncn2)cc1
InChIInChI=1S/C20H21N5/c1-2-4-18(5-3-1)19-14-20(23-16-22-19)25-12-10-24(11-13-25)15-17-6-8-21-9-7-17/h1-9,14,16H,10-13,15H2
InChIKeyRMYYENOUELEXQQ-UHFFFAOYSA-N
XLogP2.86
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 126474089
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine
CID 167752923
[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168190
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (CID 58273412) is 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is c1ccc(-c2cc(N3CCN(Cc4ccncc4)CC3)ncn2)cc1.
What is the InChIKey of 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is RMYYENOUELEXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-4-18(5-3-1)19-14-20(23-16-22-19)25-12-10-24(11-13-25)15-17-6-8-21-9-7-17/h1-9,14,16H,10-13,15H2.
What are the key properties of 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 58273412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).