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

C18H16Cl2N4 — CID 10172376

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4/c1-10-2-4-11(5-3-10)18-23-16(14(9-21)17(22)24-18)13-7-6-12(19)8-15(13)20/h2-8H,9,21H2,1H3,(H2,22,23,24)
InChIKeyDPSNDOHOHUPLJA-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.47
Rot. Bonds3

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

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 10172376) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID10172376
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4/c1-10-2-4-11(5-3-10)18-23-16(14(9-21)17(22)24-18)13-7-6-12(19)8-15(13)20/h2-8H,9,21H2,1H3,(H2,22,23,24)
InChIKeyDPSNDOHOHUPLJA-UHFFFAOYSA-N
XLogP4.47
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine (CID 10172376) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is DPSNDOHOHUPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-10-2-4-11(5-3-10)18-23-16(14(9-21)17(22)24-18)13-7-6-12(19)8-15(13)20/h2-8H,9,21H2,1H3,(H2,22,23,24).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 10172376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).