4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine

C18H23F2N3O — CID 118429877

IUPAC4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine
SMILESCc1nccc(-c2ccc(OC[C@H](C)CC(C)C)c(C(F)F)n2)n1
InChIInChI=1S/C18H23F2N3O/c1-11(2)9-12(3)10-24-16-6-5-14(23-17(16)18(19)20)15-7-8-21-13(4)22-15/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyIAINGXAFODSGQN-GFCCVEGCSA-N
MW335.40 g/mol
LogP4.85
Rot. Bonds7

About 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine

4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine (PubChem CID 118429877) has the molecular formula C18H23F2N3O and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine
PubChem CID118429877
Molecular FormulaC18H23F2N3O
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine
SMILESCc1nccc(-c2ccc(OC[C@H](C)CC(C)C)c(C(F)F)n2)n1
InChIInChI=1S/C18H23F2N3O/c1-11(2)9-12(3)10-24-16-6-5-14(23-17(16)18(19)20)15-7-8-21-13(4)22-15/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyIAINGXAFODSGQN-GFCCVEGCSA-N
XLogP4.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine?
The IUPAC name of 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine (CID 118429877) is 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine?
The canonical SMILES for 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine is Cc1nccc(-c2ccc(OC[C@H](C)CC(C)C)c(C(F)F)n2)n1.
What is the InChIKey of 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine?
The InChIKey is IAINGXAFODSGQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23F2N3O/c1-11(2)9-12(3)10-24-16-6-5-14(23-17(16)18(19)20)15-7-8-21-13(4)22-15/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine?
4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine has a molecular weight of 335.40 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]-2-methylpyrimidine is sourced from PubChem (CID 118429877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).