4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C19H21N7 — CID 163352081

IUPAC4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c1C
InChIInChI=1S/C19H21N7/c1-14-15(2)22-13-23-18(14)25-9-11-26(12-10-25)19-21-8-6-17(24-19)16-5-3-4-7-20-16/h3-8,13H,9-12H2,1-2H3
InChIKeyPHZBISVAKDGISI-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.27
Rot. Bonds3

About 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 163352081) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID163352081
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c1C
InChIInChI=1S/C19H21N7/c1-14-15(2)22-13-23-18(14)25-9-11-26(12-10-25)19-21-8-6-17(24-19)16-5-3-4-7-20-16/h3-8,13H,9-12H2,1-2H3
InChIKeyPHZBISVAKDGISI-UHFFFAOYSA-N
XLogP2.27
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 163352081) is 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is Cc1ncnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is PHZBISVAKDGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-15(2)22-13-23-18(14)25-9-11-26(12-10-25)19-21-8-6-17(24-19)16-5-3-4-7-20-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163352081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).