2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine

C18H23Cl3N4 — CID 10787254

IUPAC2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C18H23Cl3N4/c1-5-7-25(8-6-2)18-11(3)17(22-12(4)23-18)24-16-14(20)9-13(19)10-15(16)21/h9-10H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyUAWBOJNWORVGBS-UHFFFAOYSA-N
MW401.77 g/mol
LogP6.42
Rot. Bonds7

About 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 10787254) has the molecular formula C18H23Cl3N4 and a molecular weight of 401.77 g/mol. Its IUPAC name is 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
PubChem CID10787254
Molecular FormulaC18H23Cl3N4
Molecular Weight401.77 g/mol
Exact Mass400.10
IUPAC Name2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C18H23Cl3N4/c1-5-7-25(8-6-2)18-11(3)17(22-12(4)23-18)24-16-14(20)9-13(19)10-15(16)21/h9-10H,5-8H2,1-4H3,(H,22,23,24)
InChIKeyUAWBOJNWORVGBS-UHFFFAOYSA-N
XLogP6.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.77
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine (CID 10787254) is 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine is CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C.
What is the InChIKey of 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is UAWBOJNWORVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl3N4/c1-5-7-25(8-6-2)18-11(3)17(22-12(4)23-18)24-16-14(20)9-13(19)10-15(16)21/h9-10H,5-8H2,1-4H3,(H,22,23,24).
What are the key properties of 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 401.77 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 10787254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).