6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine

C18H15ClF2N4 — CID 112864590

IUPAC6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCc3cccc(Cl)c3)ncn2)c(F)c1
InChIInChI=1S/C18H15ClF2N4/c19-13-3-1-2-12(8-13)6-7-22-17-10-18(24-11-23-17)25-16-5-4-14(20)9-15(16)21/h1-5,8-11H,6-7H2,(H2,22,23,24,25)
InChIKeyBOLIYUURSAJOFX-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.81
Rot. Bonds6

About 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine

6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112864590) has the molecular formula C18H15ClF2N4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
PubChem CID112864590
Molecular FormulaC18H15ClF2N4
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCc3cccc(Cl)c3)ncn2)c(F)c1
InChIInChI=1S/C18H15ClF2N4/c19-13-3-1-2-12(8-13)6-7-22-17-10-18(24-11-23-17)25-16-5-4-14(20)9-15(16)21/h1-5,8-11H,6-7H2,(H2,22,23,24,25)
InChIKeyBOLIYUURSAJOFX-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
4-N-(4-chloro-2-fluorophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80801204
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109126313
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348414
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873789
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857698
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926472

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine (CID 112864590) is 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NCCc3cccc(Cl)c3)ncn2)c(F)c1.
What is the InChIKey of 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is BOLIYUURSAJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4/c19-13-3-1-2-12(8-13)6-7-22-17-10-18(24-11-23-17)25-16-5-4-14(20)9-15(16)21/h1-5,8-11H,6-7H2,(H2,22,23,24,25).
What are the key properties of 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 360.80 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).