6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H13Cl3FN3 — CID 83079114

IUPAC6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H13Cl3FN3/c1-6(2)13-20-12(17)7(3)14(21-13)19-11-9(15)4-8(18)5-10(11)16/h4-6H,1-3H3,(H,19,20,21)
InChIKeyISPSPQWERQGQMA-UHFFFAOYSA-N
MW348.64 g/mol
LogP5.75
Rot. Bonds3

About 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 83079114) has the molecular formula C14H13Cl3FN3 and a molecular weight of 348.64 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID83079114
Molecular FormulaC14H13Cl3FN3
Molecular Weight348.64 g/mol
Exact Mass347.02
IUPAC Name6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H13Cl3FN3/c1-6(2)13-20-12(17)7(3)14(21-13)19-11-9(15)4-8(18)5-10(11)16/h4-6H,1-3H3,(H,19,20,21)
InChIKeyISPSPQWERQGQMA-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.64
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
5-methyl-2-propan-2-yl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80992552
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83082156
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
4-chloro-3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80970291
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82766249
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 83079114) is 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ISPSPQWERQGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3FN3/c1-6(2)13-20-12(17)7(3)14(21-13)19-11-9(15)4-8(18)5-10(11)16/h4-6H,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 348.64 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 83079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).