chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine

C25H17Cl6N7 — CID 139191846

IUPACchloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine
SMILESClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2nccc(-c3cccc(-c4ccnc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C23H15N7.2CHCl3/c1-3-12-24-20(6-1)22-26-14-10-18(29-22)16-8-5-9-17(28-16)19-11-15-27-23(30-19)21-7-2-4-13-25-21;2*2-1(3)4/h1-15H;2*1H
InChIKeyWFROPXLUUANTTI-UHFFFAOYSA-N
MW628.18 g/mol
LogP8.09
Rot. Bonds4

About chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine

chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine (PubChem CID 139191846) has the molecular formula C25H17Cl6N7 and a molecular weight of 628.18 g/mol. Its IUPAC name is chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Namechloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine
PubChem CID139191846
Molecular FormulaC25H17Cl6N7
Molecular Weight628.18 g/mol
Exact Mass624.97
IUPAC Namechloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine
SMILESClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2nccc(-c3cccc(-c4ccnc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C23H15N7.2CHCl3/c1-3-12-24-20(6-1)22-26-14-10-18(29-22)16-8-5-9-17(28-16)19-11-15-27-23(30-19)21-7-2-4-13-25-21;2*2-1(3)4/h1-15H;2*1H
InChIKeyWFROPXLUUANTTI-UHFFFAOYSA-N
XLogP8.09
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.18
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
CID 138501462
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 138501606
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 138501614
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
N-Methyl-N-(phenylmethyl)-2,6-di-2-pyridinyl-4-pyrimidinamine
CID 3515364
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
CID 3608410
N,N-diethyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4101317
2-(2,6-dipyridin-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4174337
4-Piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4187625
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4348221

Frequently Asked Questions

What is the IUPAC name of chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine?
The IUPAC name of chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine (CID 139191846) is chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine?
The canonical SMILES for chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine is ClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2nccc(-c3cccc(-c4ccnc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine?
The InChIKey is WFROPXLUUANTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7.2CHCl3/c1-3-12-24-20(6-1)22-26-14-10-18(29-22)16-8-5-9-17(28-16)19-11-15-27-23(30-19)21-7-2-4-13-25-21;2*2-1(3)4/h1-15H;2*1H.
What are the key properties of chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine?
chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine has a molecular weight of 628.18 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2-pyridin-2-yl-4-[6-(2-pyridin-2-ylpyrimidin-4-yl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 139191846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).