N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C21H18FN7O3 — CID 59509098

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cn2nnc(COc3ccccc3)n2)ncn1
InChIInChI=1S/C21H18FN7O3/c1-31-18-8-7-14(22)9-16(18)17-10-19(24-13-23-17)25-21(30)11-29-27-20(26-28-29)12-32-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,23,24,25,30)
InChIKeyYERSVSPMTXUJSM-UHFFFAOYSA-N
MW435.42 g/mol
LogP2.50
Rot. Bonds8

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 59509098) has the molecular formula C21H18FN7O3 and a molecular weight of 435.42 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID59509098
Molecular FormulaC21H18FN7O3
Molecular Weight435.42 g/mol
Exact Mass435.15
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cn2nnc(COc3ccccc3)n2)ncn1
InChIInChI=1S/C21H18FN7O3/c1-31-18-8-7-14(22)9-16(18)17-10-19(24-13-23-17)25-21(30)11-29-27-20(26-28-29)12-32-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,23,24,25,30)
InChIKeyYERSVSPMTXUJSM-UHFFFAOYSA-N
XLogP2.50
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 59509098) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is COc1ccc(F)cc1-c1cc(NC(=O)Cn2nnc(COc3ccccc3)n2)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is YERSVSPMTXUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O3/c1-31-18-8-7-14(22)9-16(18)17-10-19(24-13-23-17)25-21(30)11-29-27-20(26-28-29)12-32-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,23,24,25,30).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 435.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 59509098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).