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

C17H12Cl2F2N4 — CID 10172706

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F2N4/c18-9-2-3-10(12(19)6-9)15-11(7-22)16(23)25-17(24-15)8-1-4-13(20)14(21)5-8/h1-6H,7,22H2,(H2,23,24,25)
InChIKeyRSTRFELFAGTRRB-UHFFFAOYSA-N
MW381.21 g/mol
LogP4.44
Rot. Bonds3

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

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine (PubChem CID 10172706) has the molecular formula C17H12Cl2F2N4 and a molecular weight of 381.21 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
PubChem CID10172706
Molecular FormulaC17H12Cl2F2N4
Molecular Weight381.21 g/mol
Exact Mass380.04
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F2N4/c18-9-2-3-10(12(19)6-9)15-11(7-22)16(23)25-17(24-15)8-1-4-13(20)14(21)5-8/h1-6H,7,22H2,(H2,23,24,25)
InChIKeyRSTRFELFAGTRRB-UHFFFAOYSA-N
XLogP4.44
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.44
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-(3,4-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine (CID 10172706) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine is NCc1c(N)nc(-c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine?
The InChIKey is RSTRFELFAGTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4/c18-9-2-3-10(12(19)6-9)15-11(7-22)16(23)25-17(24-15)8-1-4-13(20)14(21)5-8/h1-6H,7,22H2,(H2,23,24,25).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine has a molecular weight of 381.21 g/mol, XLogP of 4.44, 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-(3,4-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 10172706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).