4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine

C19H20N6 — CID 3608410

IUPAC4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
SMILESCN1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H20N6/c1-24-9-11-25(12-10-24)18-13-17(15-4-7-20-8-5-15)22-19(23-18)16-3-2-6-21-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYXFNFUPRMMEZEJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.35
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine

4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine (PubChem CID 3608410) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
PubChem CID3608410
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
SMILESCN1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H20N6/c1-24-9-11-25(12-10-24)18-13-17(15-4-7-20-8-5-15)22-19(23-18)16-3-2-6-21-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYXFNFUPRMMEZEJ-UHFFFAOYSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine (CID 3608410) is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine is CN1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine?
The InChIKey is YXFNFUPRMMEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-24-9-11-25(12-10-24)18-13-17(15-4-7-20-8-5-15)22-19(23-18)16-3-2-6-21-14-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine?
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine has a molecular weight of 332.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 3608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).