N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C18H25FN6O2 — CID 165385531

IUPACN-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2nc(Nc3cn(C)nc3C)ncc2F)CC1
InChIInChI=1S/C18H25FN6O2/c1-11-16(9-25(3)24-11)22-18-20-8-15(19)17(23-18)27-10-13-4-6-14(7-5-13)21-12(2)26/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyGBRRBWTVUVFFOJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385531) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385531
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC NameN-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(COc2nc(Nc3cn(C)nc3C)ncc2F)CC1
InChIInChI=1S/C18H25FN6O2/c1-11-16(9-25(3)24-11)22-18-20-8-15(19)17(23-18)27-10-13-4-6-14(7-5-13)21-12(2)26/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyGBRRBWTVUVFFOJ-UHFFFAOYSA-N
XLogP2.47
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385531) is N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(COc2nc(Nc3cn(C)nc3C)ncc2F)CC1.
What is the InChIKey of N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is GBRRBWTVUVFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-11-16(9-25(3)24-11)22-18-20-8-15(19)17(23-18)27-10-13-4-6-14(7-5-13)21-12(2)26/h8-9,13-14H,4-7,10H2,1-3H3,(H,21,26)(H,20,22,23).
What are the key properties of N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).