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

C14H17N5 — CID 44613762

IUPAC2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
SMILESCN1CCN(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C14H17N5/c1-18-7-9-19(10-8-18)14-16-6-4-13(17-14)12-3-2-5-15-11-12/h2-6,11H,7-10H2,1H3
InChIKeyIEQBMJVLWIDWJX-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.29
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine (PubChem CID 44613762) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
PubChem CID44613762
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
SMILESCN1CCN(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C14H17N5/c1-18-7-9-19(10-8-18)14-16-6-4-13(17-14)12-3-2-5-15-11-12/h2-6,11H,7-10H2,1H3
InChIKeyIEQBMJVLWIDWJX-UHFFFAOYSA-N
XLogP1.29
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine (CID 44613762) is 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine is CN1CCN(c2nccc(-c3cccnc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine?
The InChIKey is IEQBMJVLWIDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-7-9-19(10-8-18)14-16-6-4-13(17-14)12-3-2-5-15-11-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine?
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine has a molecular weight of 255.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 44613762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).