2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C20H17F3N4O — CID 90182173

IUPAC2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCc1ncc(-c2ccc(C(F)(F)F)nc2)c(OC[C@H]2CC2c2ccccn2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-10-16(13-5-6-18(26-9-13)20(21,22)23)19(27-12)28-11-14-8-15(14)17-4-2-3-7-24-17/h2-7,9-10,14-15H,8,11H2,1H3/t14-,15?/m1/s1
InChIKeyCHBIBJPHQZBDHE-GICMACPYSA-N
MW386.38 g/mol
LogP4.44
Rot. Bonds5

About 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 90182173) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID90182173
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCc1ncc(-c2ccc(C(F)(F)F)nc2)c(OC[C@H]2CC2c2ccccn2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-10-16(13-5-6-18(26-9-13)20(21,22)23)19(27-12)28-11-14-8-15(14)17-4-2-3-7-24-17/h2-7,9-10,14-15H,8,11H2,1H3/t14-,15?/m1/s1
InChIKeyCHBIBJPHQZBDHE-GICMACPYSA-N
XLogP4.44
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 90182173) is 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is Cc1ncc(-c2ccc(C(F)(F)F)nc2)c(OC[C@H]2CC2c2ccccn2)n1.
What is the InChIKey of 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is CHBIBJPHQZBDHE-GICMACPYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-25-10-16(13-5-6-18(26-9-13)20(21,22)23)19(27-12)28-11-14-8-15(14)17-4-2-3-7-24-17/h2-7,9-10,14-15H,8,11H2,1H3/t14-,15?/m1/s1.
What are the key properties of 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 386.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 90182173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).