5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine

C18H17ClF2N4O — CID 141127771

IUPAC5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine
SMILESCc1cnc(CN2C=C(Cl)C(OCc3ccc(F)cc3F)=NC2C)cn1
InChIInChI=1S/C18H17ClF2N4O/c1-11-6-23-15(7-22-11)8-25-9-16(19)18(24-12(25)2)26-10-13-3-4-14(20)5-17(13)21/h3-7,9,12H,8,10H2,1-2H3
InChIKeyCUSKAMCYDDICHZ-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine

5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine (PubChem CID 141127771) has the molecular formula C18H17ClF2N4O and a molecular weight of 378.81 g/mol. Its IUPAC name is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine.

Molecular Properties

Compound Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine
PubChem CID141127771
Molecular FormulaC18H17ClF2N4O
Molecular Weight378.81 g/mol
Exact Mass378.11
IUPAC Name5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine
SMILESCc1cnc(CN2C=C(Cl)C(OCc3ccc(F)cc3F)=NC2C)cn1
InChIInChI=1S/C18H17ClF2N4O/c1-11-6-23-15(7-22-11)8-25-9-16(19)18(24-12(25)2)26-10-13-3-4-14(20)5-17(13)21/h3-7,9,12H,8,10H2,1-2H3
InChIKeyCUSKAMCYDDICHZ-UHFFFAOYSA-N
XLogP3.92
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine?
The IUPAC name of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine (CID 141127771) is 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine.
What is the SMILES notation for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine?
The canonical SMILES for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine is Cc1cnc(CN2C=C(Cl)C(OCc3ccc(F)cc3F)=NC2C)cn1.
What is the InChIKey of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine?
The InChIKey is CUSKAMCYDDICHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O/c1-11-6-23-15(7-22-11)8-25-9-16(19)18(24-12(25)2)26-10-13-3-4-14(20)5-17(13)21/h3-7,9,12H,8,10H2,1-2H3.
What are the key properties of 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine?
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine has a molecular weight of 378.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2H-pyrimidine is sourced from PubChem (CID 141127771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).