2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine

C18H24Cl2N4O — CID 10596113

IUPAC2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2Cl)n1
InChIInChI=1S/C18H24Cl2N4O/c1-6-23(7-2)16-9-12(4)21-18(22-16)24(8-3)17-14(19)10-13(25-5)11-15(17)20/h9-11H,6-8H2,1-5H3
InChIKeyFKDBXJHUAYIUEU-UHFFFAOYSA-N
MW383.32 g/mol
LogP5.10
Rot. Bonds7

About 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine

2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 10596113) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
PubChem CID10596113
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2Cl)n1
InChIInChI=1S/C18H24Cl2N4O/c1-6-23(7-2)16-9-12(4)21-18(22-16)24(8-3)17-14(19)10-13(25-5)11-15(17)20/h9-11H,6-8H2,1-5H3
InChIKeyFKDBXJHUAYIUEU-UHFFFAOYSA-N
XLogP5.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine (CID 10596113) is 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2Cl)n1.
What is the InChIKey of 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is FKDBXJHUAYIUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O/c1-6-23(7-2)16-9-12(4)21-18(22-16)24(8-3)17-14(19)10-13(25-5)11-15(17)20/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine?
2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 383.32 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 10596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).