6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine

C14H14ClF2N3O — CID 63734205

IUPAC6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H14ClF2N3O/c1-8(2)11-12(15)18-7-19-13(11)20-9-5-3-4-6-10(9)21-14(16)17/h3-8,14H,1-2H3,(H,18,19,20)
InChIKeyBQWFQIFXGQFJPH-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.60
Rot. Bonds5

About 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63734205) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID63734205
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H14ClF2N3O/c1-8(2)11-12(15)18-7-19-13(11)20-9-5-3-4-6-10(9)21-14(16)17/h3-8,14H,1-2H3,(H,18,19,20)
InChIKeyBQWFQIFXGQFJPH-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
CID 63734206
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735623
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662
6-chloro-N-[3-(2-methylphenoxy)propyl]-5-propan-2-ylpyrimidin-4-amine
CID 13066830
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
4-N-[2-(difluoromethoxy)phenyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80754579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine (CID 63734205) is 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1ccccc1OC(F)F.
What is the InChIKey of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BQWFQIFXGQFJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c1-8(2)11-12(15)18-7-19-13(11)20-9-5-3-4-6-10(9)21-14(16)17/h3-8,14H,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 313.74 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63734205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).