2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one

C16H17FN6O3 — CID 71061880

IUPAC2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one
SMILESCOc1ncc(F)cc1Nc1ncc2[nH]c(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C16H17FN6O3/c1-25-14-11(6-9(17)7-18-14)20-15-19-8-12-13(22-15)23(16(24)21-12)10-2-4-26-5-3-10/h6-8,10H,2-5H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyYZTSFKBOINFZRF-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.76
Rot. Bonds4

About 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one

2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one (PubChem CID 71061880) has the molecular formula C16H17FN6O3 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one
PubChem CID71061880
Molecular FormulaC16H17FN6O3
Molecular Weight360.35 g/mol
Exact Mass360.13
IUPAC Name2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one
SMILESCOc1ncc(F)cc1Nc1ncc2[nH]c(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C16H17FN6O3/c1-25-14-11(6-9(17)7-18-14)20-15-19-8-12-13(22-15)23(16(24)21-12)10-2-4-26-5-3-10/h6-8,10H,2-5H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyYZTSFKBOINFZRF-UHFFFAOYSA-N
XLogP1.76
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one with MolForge

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Launch Full Analysis

Related Compounds

Dsr-6434
CID 25071151
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-morpholinoethylamino)-7H-purin-8(9H)-one
CID 16064250
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071150
7-(2,6-difluorobenzyl)-2-(2-methoxyethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one
CID 44565134
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-amine
CID 49835172
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 59281148
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66790135
6-(5-fluoro-6-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290549
6-(5-Fluoro-2-pyridinyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 68308472
N-[3-[7-(2-methoxyethyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-oxopurin-9-yl]phenyl]prop-2-enamide
CID 77844121

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one?
The IUPAC name of 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one (CID 71061880) is 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one.
What is the SMILES notation for 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one?
The canonical SMILES for 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one is COc1ncc(F)cc1Nc1ncc2[nH]c(=O)n(C3CCOCC3)c2n1.
What is the InChIKey of 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one?
The InChIKey is YZTSFKBOINFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3/c1-25-14-11(6-9(17)7-18-14)20-15-19-8-12-13(22-15)23(16(24)21-12)10-2-4-26-5-3-10/h6-8,10H,2-5H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one?
2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one has a molecular weight of 360.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxy-3-pyridinyl)amino]-9-(oxan-4-yl)-7H-purin-8-one is sourced from PubChem (CID 71061880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).