[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol

C18H17ClF2N4O2 — CID 141127742

IUPAC[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Cl)=CN1Cc1cnc(CO)cn1
InChIInChI=1S/C18H17ClF2N4O2/c1-11-24-18(27-10-12-2-3-13(20)4-17(12)21)16(19)8-25(11)7-14-5-23-15(9-26)6-22-14/h2-6,8,11,26H,7,9-10H2,1H3
InChIKeyAYQAVGVLECSKDR-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.10
Rot. Bonds5

About [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol

[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol (PubChem CID 141127742) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol
PubChem CID141127742
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC Name[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol
SMILESCC1N=C(OCc2ccc(F)cc2F)C(Cl)=CN1Cc1cnc(CO)cn1
InChIInChI=1S/C18H17ClF2N4O2/c1-11-24-18(27-10-12-2-3-13(20)4-17(12)21)16(19)8-25(11)7-14-5-23-15(9-26)6-22-14/h2-6,8,11,26H,7,9-10H2,1H3
InChIKeyAYQAVGVLECSKDR-UHFFFAOYSA-N
XLogP3.10
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol?
The IUPAC name of [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol (CID 141127742) is [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol is CC1N=C(OCc2ccc(F)cc2F)C(Cl)=CN1Cc1cnc(CO)cn1.
What is the InChIKey of [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol?
The InChIKey is AYQAVGVLECSKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-11-24-18(27-10-12-2-3-13(20)4-17(12)21)16(19)8-25(11)7-14-5-23-15(9-26)6-22-14/h2-6,8,11,26H,7,9-10H2,1H3.
What are the key properties of [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol?
[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol has a molecular weight of 394.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-2H-pyrimidin-1-yl]methyl]pyrazin-2-yl]methanol is sourced from PubChem (CID 141127742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).