2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine

C15H17Cl2N3 — CID 63485446

IUPAC2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2Cl)nc(C)c1CC
InChIInChI=1S/C15H17Cl2N3/c1-4-10-9(3)19-15(20-14(10)18-5-2)11-7-6-8-12(16)13(11)17/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyMPQCHAUIBJRTJY-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.75
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 63485446) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID63485446
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2Cl)nc(C)c1CC
InChIInChI=1S/C15H17Cl2N3/c1-4-10-9(3)19-15(20-14(10)18-5-2)11-7-6-8-12(16)13(11)17/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyMPQCHAUIBJRTJY-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 63485446) is 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2cccc(Cl)c2Cl)nc(C)c1CC.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is MPQCHAUIBJRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-4-10-9(3)19-15(20-14(10)18-5-2)11-7-6-8-12(16)13(11)17/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 63485446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).