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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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).