N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine

C20H17Cl2N7 — CID 130400209

IUPACN'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESClc1ccc(-c2nc(NCCNc3ccccn3)ncc2-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C20H17Cl2N7/c21-13-4-5-14(16(22)11-13)18-15(19-25-8-9-26-19)12-28-20(29-18)27-10-7-24-17-3-1-2-6-23-17/h1-6,8-9,11-12H,7,10H2,(H,23,24)(H,25,26)(H,27,28,29)
InChIKeyVCDYPNFCDUNSGF-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.76
Rot. Bonds7

About N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine

N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine (PubChem CID 130400209) has the molecular formula C20H17Cl2N7 and a molecular weight of 426.31 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
PubChem CID130400209
Molecular FormulaC20H17Cl2N7
Molecular Weight426.31 g/mol
Exact Mass425.09
IUPAC NameN'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESClc1ccc(-c2nc(NCCNc3ccccn3)ncc2-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C20H17Cl2N7/c21-13-4-5-14(16(22)11-13)18-15(19-25-8-9-26-19)12-28-20(29-18)27-10-7-24-17-3-1-2-6-23-17/h1-6,8-9,11-12H,7,10H2,(H,23,24)(H,25,26)(H,27,28,29)
InChIKeyVCDYPNFCDUNSGF-UHFFFAOYSA-N
XLogP4.76
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine (CID 130400209) is N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine is Clc1ccc(-c2nc(NCCNc3ccccn3)ncc2-c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The InChIKey is VCDYPNFCDUNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N7/c21-13-4-5-14(16(22)11-13)18-15(19-25-8-9-26-19)12-28-20(29-18)27-10-7-24-17-3-1-2-6-23-17/h1-6,8-9,11-12H,7,10H2,(H,23,24)(H,25,26)(H,27,28,29).
What are the key properties of N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine has a molecular weight of 426.31 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 130400209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).