2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine

C19H17Cl2FN4O2 — CID 67277134

IUPAC2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)c(OC)c(Cl)c3)ncc2F)cc1Cl
InChIInChI=1S/C19H17Cl2FN4O2/c1-10-6-12(8-14(21)17(10)28-3)25-19-23-9-15(22)18(26-19)24-11-4-5-16(27-2)13(20)7-11/h4-9H,1-3H3,(H2,23,24,25,26)
InChIKeyGJUTVWMOCFOTDW-UHFFFAOYSA-N
MW423.28 g/mol
LogP5.74
Rot. Bonds6

About 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine

2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 67277134) has the molecular formula C19H17Cl2FN4O2 and a molecular weight of 423.28 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID67277134
Molecular FormulaC19H17Cl2FN4O2
Molecular Weight423.28 g/mol
Exact Mass422.07
IUPAC Name2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)c(OC)c(Cl)c3)ncc2F)cc1Cl
InChIInChI=1S/C19H17Cl2FN4O2/c1-10-6-12(8-14(21)17(10)28-3)25-19-23-9-15(22)18(26-19)24-11-4-5-16(27-2)13(20)7-11/h4-9H,1-3H3,(H2,23,24,25,26)
InChIKeyGJUTVWMOCFOTDW-UHFFFAOYSA-N
XLogP5.74
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.28
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine (CID 67277134) is 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3cc(C)c(OC)c(Cl)c3)ncc2F)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is GJUTVWMOCFOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O2/c1-10-6-12(8-14(21)17(10)28-3)25-19-23-9-15(22)18(26-19)24-11-4-5-16(27-2)13(20)7-11/h4-9H,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 423.28 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxy-5-methylphenyl)-4-N-(3-chloro-4-methoxyphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 67277134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).