2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine

C13H12F3N3O — CID 56869841

IUPAC2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C13H12F3N3O/c1-20-11-3-2-9(8-18-11)12-17-7-5-10(19-12)4-6-13(14,15)16/h2-3,5,7-8H,4,6H2,1H3
InChIKeyQCKVZLCUFQXCPS-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.04
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56869841) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56869841
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C13H12F3N3O/c1-20-11-3-2-9(8-18-11)12-17-7-5-10(19-12)4-6-13(14,15)16/h2-3,5,7-8H,4,6H2,1H3
InChIKeyQCKVZLCUFQXCPS-UHFFFAOYSA-N
XLogP3.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyridin-2-amine
CID 56866916
2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56878178
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56868695
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348
N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117089476
2-(6-methoxy-3-pyridinyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 114938425
2-bromo-5-(4-propylpyrimidin-2-yl)pyrimidine
CID 166514077
2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117088664
N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938356
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
methyl (2R)-2-(4-hydroxyphenyl)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]acetate
CID 56877193

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56869841) is 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine is COc1ccc(-c2nccc(CCC(F)(F)F)n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is QCKVZLCUFQXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-20-11-3-2-9(8-18-11)12-17-7-5-10(19-12)4-6-13(14,15)16/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 283.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56869841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).