4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine

C14H11Cl2N5 — CID 174423019

IUPAC4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H11Cl2N5/c1-17-14-19-7-12(21-5-4-18-8-21)13(20-14)10-3-2-9(15)6-11(10)16/h2-8H,1H3,(H,17,19,20)
InChIKeyAVXSDHCGQBAOQS-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.68
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine

4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine (PubChem CID 174423019) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine
PubChem CID174423019
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H11Cl2N5/c1-17-14-19-7-12(21-5-4-18-8-21)13(20-14)10-3-2-9(15)6-11(10)16/h2-8H,1H3,(H,17,19,20)
InChIKeyAVXSDHCGQBAOQS-UHFFFAOYSA-N
XLogP3.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Laduviglusib
CID 9956119
Imidacloprid guanidine olefin
CID 9815679
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 53396311
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine (CID 174423019) is 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine is CNc1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine?
The InChIKey is AVXSDHCGQBAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-17-14-19-7-12(21-5-4-18-8-21)13(20-14)10-3-2-9(15)6-11(10)16/h2-8H,1H3,(H,17,19,20).
What are the key properties of 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine?
4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine has a molecular weight of 320.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 174423019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).