5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine

C17H13Cl3N4 — CID 10172681

IUPAC5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N4/c18-10-3-1-2-9(6-10)17-23-15(13(8-21)16(22)24-17)12-5-4-11(19)7-14(12)20/h1-7H,8,21H2,(H2,22,23,24)
InChIKeyVWTHRSJZPYHTKN-UHFFFAOYSA-N
MW379.68 g/mol
LogP4.81
Rot. Bonds3

About 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine

5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine (PubChem CID 10172681) has the molecular formula C17H13Cl3N4 and a molecular weight of 379.68 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
PubChem CID10172681
Molecular FormulaC17H13Cl3N4
Molecular Weight379.68 g/mol
Exact Mass378.02
IUPAC Name5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N4/c18-10-3-1-2-9(6-10)17-23-15(13(8-21)16(22)24-17)12-5-4-11(19)7-14(12)20/h1-7H,8,21H2,(H2,22,23,24)
InChIKeyVWTHRSJZPYHTKN-UHFFFAOYSA-N
XLogP4.81
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine (CID 10172681) is 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine is NCc1c(N)nc(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine?
The InChIKey is VWTHRSJZPYHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N4/c18-10-3-1-2-9(6-10)17-23-15(13(8-21)16(22)24-17)12-5-4-11(19)7-14(12)20/h1-7H,8,21H2,(H2,22,23,24).
What are the key properties of 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine?
5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine has a molecular weight of 379.68 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 10172681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).