5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine

C18H15Cl2FN4O — CID 10237546

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(COc2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2FN4O/c19-10-1-6-13(15(20)7-10)17-14(8-22)18(23)25-16(24-17)9-26-12-4-2-11(21)3-5-12/h1-7H,8-9,22H2,(H2,23,24,25)
InChIKeyKCJCHBXASNVDDH-UHFFFAOYSA-N
MW393.25 g/mol
LogP4.21
Rot. Bonds5

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine (PubChem CID 10237546) has the molecular formula C18H15Cl2FN4O and a molecular weight of 393.25 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
PubChem CID10237546
Molecular FormulaC18H15Cl2FN4O
Molecular Weight393.25 g/mol
Exact Mass392.06
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(COc2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2FN4O/c19-10-1-6-13(15(20)7-10)17-14(8-22)18(23)25-16(24-17)9-26-12-4-2-11(21)3-5-12/h1-7H,8-9,22H2,(H2,23,24,25)
InChIKeyKCJCHBXASNVDDH-UHFFFAOYSA-N
XLogP4.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 22372155
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326495
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
CID 10215103
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
CID 117214491
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-amino-4-chlorobenzoate
CID 46544136
[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
CID 67420250
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine (CID 10237546) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine is NCc1c(N)nc(COc2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine?
The InChIKey is KCJCHBXASNVDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4O/c19-10-1-6-13(15(20)7-10)17-14(8-22)18(23)25-16(24-17)9-26-12-4-2-11(21)3-5-12/h1-7H,8-9,22H2,(H2,23,24,25).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine has a molecular weight of 393.25 g/mol, XLogP of 4.21, 5 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-[(4-fluorophenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 10237546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).