6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C14H15Cl2FN4O — CID 71848697

IUPAC6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(Cc1ccc(F)cc1Cl)c1cc(Cl)nc(N)n1
InChIInChI=1S/C14H15Cl2FN4O/c1-22-5-4-21(13-7-12(16)19-14(18)20-13)8-9-2-3-10(17)6-11(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,20)
InChIKeyLYQFSYMWQQKPPJ-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.16
Rot. Bonds6

About 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 71848697) has the molecular formula C14H15Cl2FN4O and a molecular weight of 345.21 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID71848697
Molecular FormulaC14H15Cl2FN4O
Molecular Weight345.21 g/mol
Exact Mass344.06
IUPAC Name6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(Cc1ccc(F)cc1Cl)c1cc(Cl)nc(N)n1
InChIInChI=1S/C14H15Cl2FN4O/c1-22-5-4-21(13-7-12(16)19-14(18)20-13)8-9-2-3-10(17)6-11(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,20)
InChIKeyLYQFSYMWQQKPPJ-UHFFFAOYSA-N
XLogP3.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 71848697) is 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCN(Cc1ccc(F)cc1Cl)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is LYQFSYMWQQKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN4O/c1-22-5-4-21(13-7-12(16)19-14(18)20-13)8-9-2-3-10(17)6-11(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,20).
What are the key properties of 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 345.21 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-chloro-4-fluorophenyl)methyl]-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71848697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).