4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine

C20H23N7 — CID 133458867

IUPAC4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCc1nccc(N2CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)n1
InChIInChI=1S/C20H23N7/c1-14-15(2)23-19(17-4-7-21-8-5-17)25-20(14)27-12-10-26(11-13-27)18-6-9-22-16(3)24-18/h4-9H,10-13H2,1-3H3
InChIKeyIANGKOVLVYEXEH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.58
Rot. Bonds3

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

4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 133458867) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
PubChem CID133458867
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCc1nccc(N2CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)n1
InChIInChI=1S/C20H23N7/c1-14-15(2)23-19(17-4-7-21-8-5-17)25-20(14)27-12-10-26(11-13-27)18-6-9-22-16(3)24-18/h4-9H,10-13H2,1-3H3
InChIKeyIANGKOVLVYEXEH-UHFFFAOYSA-N
XLogP2.58
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.58
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-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine (CID 133458867) is 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine is Cc1nccc(N2CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)n1.
What is the InChIKey of 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is IANGKOVLVYEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-14-15(2)23-19(17-4-7-21-8-5-17)25-20(14)27-12-10-26(11-13-27)18-6-9-22-16(3)24-18/h4-9H,10-13H2,1-3H3.
What are the key properties of 4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 361.45 g/mol, XLogP of 2.58, 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-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).