5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine

C25H32N8 — CID 133349095

IUPAC5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(Cc3ccccn3)CC2)nc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H32N8/c1-21-18-28-25(33-16-12-31(13-17-33)20-23-7-3-5-9-27-23)29-24(21)32-14-10-30(11-15-32)19-22-6-2-4-8-26-22/h2-9,18H,10-17,19-20H2,1H3
InChIKeyGSEWKDMEMYGODV-UHFFFAOYSA-N
MW444.59 g/mol
LogP2.22
Rot. Bonds6

About 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine

5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 133349095) has the molecular formula C25H32N8 and a molecular weight of 444.59 g/mol. Its IUPAC name is 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID133349095
Molecular FormulaC25H32N8
Molecular Weight444.59 g/mol
Exact Mass444.27
IUPAC Name5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(Cc3ccccn3)CC2)nc1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H32N8/c1-21-18-28-25(33-16-12-31(13-17-33)20-23-7-3-5-9-27-23)29-24(21)32-14-10-30(11-15-32)19-22-6-2-4-8-26-22/h2-9,18H,10-17,19-20H2,1H3
InChIKeyGSEWKDMEMYGODV-UHFFFAOYSA-N
XLogP2.22
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 121174204
1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine
CID 133349158
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
CID 141381288

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine (CID 133349095) is 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine is Cc1cnc(N2CCN(Cc3ccccn3)CC2)nc1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is GSEWKDMEMYGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8/c1-21-18-28-25(33-16-12-31(13-17-33)20-23-7-3-5-9-27-23)29-24(21)32-14-10-30(11-15-32)19-22-6-2-4-8-26-22/h2-9,18H,10-17,19-20H2,1H3.
What are the key properties of 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine?
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 444.59 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133349095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).