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

C18H16Cl2N4O — CID 10287141

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C18H16Cl2N4O/c1-25-12-4-2-3-10(7-12)18-23-16(14(9-21)17(22)24-18)13-6-5-11(19)8-15(13)20/h2-8H,9,21H2,1H3,(H2,22,23,24)
InChIKeyUAOJUAJKBKUTQI-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.17
Rot. Bonds4

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

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 10287141) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID10287141
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C18H16Cl2N4O/c1-25-12-4-2-3-10(7-12)18-23-16(14(9-21)17(22)24-18)13-6-5-11(19)8-15(13)20/h2-8H,9,21H2,1H3,(H2,22,23,24)
InChIKeyUAOJUAJKBKUTQI-UHFFFAOYSA-N
XLogP4.17
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine (CID 10287141) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is UAOJUAJKBKUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-25-12-4-2-3-10(7-12)18-23-16(14(9-21)17(22)24-18)13-6-5-11(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-(3-methoxyphenyl)pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 375.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 10287141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).