2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine

C17H16ClN7 — CID 163351993

IUPAC2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
SMILESClc1cnc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc1
InChIInChI=1S/C17H16ClN7/c18-14-11-21-16(22-12-14)24-7-9-25(10-8-24)17-20-6-3-15(23-17)13-1-4-19-5-2-13/h1-6,11-12H,7-10H2
InChIKeyXHTDJPAAPDDFBY-UHFFFAOYSA-N
MW353.82 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine

2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine (PubChem CID 163351993) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
PubChem CID163351993
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
SMILESClc1cnc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc1
InChIInChI=1S/C17H16ClN7/c18-14-11-21-16(22-12-14)24-7-9-25(10-8-24)17-20-6-3-15(23-17)13-1-4-19-5-2-13/h1-6,11-12H,7-10H2
InChIKeyXHTDJPAAPDDFBY-UHFFFAOYSA-N
XLogP2.31
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 139029302
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 163352467
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 163352457
2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163348410
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
3-(methoxymethyl)-5-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163352124
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 163352191
3-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163350225
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine?
The IUPAC name of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine (CID 163351993) is 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine is Clc1cnc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc1.
What is the InChIKey of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine?
The InChIKey is XHTDJPAAPDDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7/c18-14-11-21-16(22-12-14)24-7-9-25(10-8-24)17-20-6-3-15(23-17)13-1-4-19-5-2-13/h1-6,11-12H,7-10H2.
What are the key properties of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine?
2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine has a molecular weight of 353.82 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 163351993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).