6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H14Cl2FN3 — CID 80972758

IUPAC6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14Cl2FN3/c1-7(2)13-19-12(16)8(3)14(20-13)18-9-4-5-11(17)10(15)6-9/h4-7H,1-3H3,(H,18,19,20)
InChIKeyPPZFDTHCWCXDPF-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.10
Rot. Bonds3

About 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80972758) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80972758
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14Cl2FN3/c1-7(2)13-19-12(16)8(3)14(20-13)18-9-4-5-11(17)10(15)6-9/h4-7H,1-3H3,(H,18,19,20)
InChIKeyPPZFDTHCWCXDPF-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315
4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992031
2-tert-butyl-6-chloro-N-(3,4-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80973758
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80972758) is 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PPZFDTHCWCXDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-7(2)13-19-12(16)8(3)14(20-13)18-9-4-5-11(17)10(15)6-9/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80972758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).